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methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate

methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate

CAS: 339101-54-1

Formula: C14H11FN2O3

SMILES: COC(=O)C1=C(C=NC=C1)C(=O)NC1=CC=C(F)C=C1

IUPAC: methyl 3-[(4-fluorophenyl)carbamoyl]pyridine-4-carboxylate

InChI: InChI=1S/C14H11FN2O3/c1-20-14(19)11-6-7-16-8-12(11)13(18)17-10-4-2-9(15)3-5-10/h2-8H,1H3,(H,17,18)

Composition: C (61.31%), H (4.04%), F (6.93%), N (10.21%), O (17.50%)

Molar Mass: 274.251

Atom Count: 31

Heavy Atom Count: 20

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 274.075370385
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey DJQFWZZEDRTVFZ-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 71.68
Topological Polar Surface Area 68.29
Polarizability 26.2
Ring Count 2
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 339101-54-1 $51.35-$86.31$51.35$63.37$86.31
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