6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid

C11H9N3O3 — CID 115116603

IUPAC6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2cc[nH]c2)nc1
InChIInChI=1S/C11H9N3O3/c15-10(14-8-3-4-12-6-8)9-2-1-7(5-13-9)11(16)17/h1-6,12H,(H,14,15)(H,16,17)
InChIKeyGYEMEXPGPVIBHO-UHFFFAOYSA-N
MW231.21 g/mol
LogP1.36
Rot. Bonds3

About 6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid

6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid (PubChem CID 115116603) has the molecular formula C11H9N3O3 and a molecular weight of 231.21 g/mol. Its IUPAC name is 6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid
PubChem CID115116603
Molecular FormulaC11H9N3O3
Molecular Weight231.21 g/mol
Exact Mass231.06
IUPAC Name6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(C(=O)Nc2cc[nH]c2)nc1
InChIInChI=1S/C11H9N3O3/c15-10(14-8-3-4-12-6-8)9-2-1-7(5-13-9)11(16)17/h1-6,12H,(H,14,15)(H,16,17)
InChIKeyGYEMEXPGPVIBHO-UHFFFAOYSA-N
XLogP1.36
TPSA95.08 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.21
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

6-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427214
6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43429931
6-[[4-(2-hydroxyethyl)phenyl]carbamoyl]pyridine-3-carboxylic acid
CID 61236807
pyridine-2,5-dicarboxylic acid
CID 158970171
5-[1-(methylamino)ethenyl]-N-[4-(1H-pyrrol-3-yl)phenyl]pyridine-2-carboxamide
CID 144819073
6-[(3,4-diacetyloxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 19877112
6-[(3-bromo-5-methylphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107577282
6-[(4-ethoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43427210
6-[(3-chloro-5-fluorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 107370115
6-[(4-fluoro-3-methoxyphenyl)carbamoyl]pyridine-3-carboxylic acid
CID 114840542
6-[(2,4,6-trichlorophenyl)carbamoyl]pyridine-3-carboxylic acid
CID 43453105
6-[(5-bromopyridine-2-carbonyl)amino]pyridine-3-carboxylic acid
CID 62958252

Frequently Asked Questions

What is the IUPAC name of 6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid?
The IUPAC name of 6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid (CID 115116603) is 6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid?
The canonical SMILES for 6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid is O=C(O)c1ccc(C(=O)Nc2cc[nH]c2)nc1.
What is the InChIKey of 6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid?
The InChIKey is GYEMEXPGPVIBHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O3/c15-10(14-8-3-4-12-6-8)9-2-1-7(5-13-9)11(16)17/h1-6,12H,(H,14,15)(H,16,17).
What are the key properties of 6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid?
6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid has a molecular weight of 231.21 g/mol, XLogP of 1.36, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-pyrrol-3-ylcarbamoyl)pyridine-3-carboxylic acid is sourced from PubChem (CID 115116603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).