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2-carbamoylpyridine-3-carboxylic acid

2-carbamoylpyridine-3-carboxylic acid

CAS: 5860-70-8

Formula: C7H6N2O3

SMILES: NC(=O)C1=C(C=CC=N1)C(O)=O

IUPAC: 2-carbamoylpyridine-3-carboxylic acid

InChI: InChI=1S/C7H6N2O3/c8-6(10)5-4(7(11)12)2-1-3-9-5/h1-3H,(H2,8,10)(H,11,12)

Composition: C (50.61%), H (3.64%), N (16.86%), O (28.89%)

Molar Mass: 166.136

Atom Count: 18

Heavy Atom Count: 12

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 166.037842061
Formal Charge 0
FSP3 0
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey DIABIDLZBNRSPR-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 39.86
Topological Polar Surface Area 93.28
Polarizability 14.74
Ring Count 1
Rotatable Bond Count 2

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Purity LeadTime CAS PacketSize UnitPrice
95% 1 Day 5860-70-8 $23.58-$857.30$23.58$44.23$136.08$476.28$857.30
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