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5-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid

5-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid

CAS: 1261934-09-1

Formula: C13H10FNO3

SMILES: COC1=CC(=CC=C1F)C1=CN=CC(=C1)C(O)=O

IUPAC: 5-(4-fluoro-3-methoxyphenyl)pyridine-3-carboxylic acid

InChI: InChI=1S/C13H10FNO3/c1-18-12-5-8(2-3-11(12)14)9-4-10(13(16)17)7-15-6-9/h2-7H,1H3,(H,16,17)

Composition: C (63.16%), H (4.08%), F (7.68%), N (5.67%), O (19.41%)

Molar Mass: 247.225

Atom Count: 28

Heavy Atom Count: 18

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 247.064471349
Formal Charge 0
FSP3 0.08
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey KZNJNHUFTLNHKB-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 62.97
Topological Polar Surface Area 59.42
Polarizability 24.89
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
98% <6 Days 1261934-09-1 $844.10-$2,365.55$844.10$2,365.55
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