2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid

C13H10ClN3O3 — CID 114324212

IUPAC2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNC(=O)c2cccc(Cl)n2)c1
InChIInChI=1S/C13H10ClN3O3/c14-11-3-1-2-10(17-11)12(18)16-7-9-6-8(13(19)20)4-5-15-9/h1-6H,7H2,(H,16,18)(H,19,20)
InChIKeyJJUUXNNUVVUIPO-UHFFFAOYSA-N
MW291.69 g/mol
LogP1.76
Rot. Bonds4

About 2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid

2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid (PubChem CID 114324212) has the molecular formula C13H10ClN3O3 and a molecular weight of 291.69 g/mol. Its IUPAC name is 2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
PubChem CID114324212
Molecular FormulaC13H10ClN3O3
Molecular Weight291.69 g/mol
Exact Mass291.04
IUPAC Name2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNC(=O)c2cccc(Cl)n2)c1
InChIInChI=1S/C13H10ClN3O3/c14-11-3-1-2-10(17-11)12(18)16-7-9-6-8(13(19)20)4-5-15-9/h1-6H,7H2,(H,16,18)(H,19,20)
InChIKeyJJUUXNNUVVUIPO-UHFFFAOYSA-N
XLogP1.76
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.69
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-(1,3-thiazol-4-ylmethyl)pyridine-2-carboxamide
CID 62413892
2-[[(3-hydroxypyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324244
6-chloro-N-(1,3-thiazol-2-ylmethyl)pyridine-2-carboxamide
CID 62234229
2-[[(3-bromo-5-chlorobenzoyl)amino]methyl]pyridine-4-carboxylic acid
CID 107938249
2-[[(3-methylpyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324145
6-chloro-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 62232710
2-[[(3-chloro-4-methylthiophene-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 103400235
2-[(methylcarbamoylamino)methyl]pyridine-4-carboxylic acid
CID 84676605
6-chloro-N-[(3-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide
CID 63306782
2-[[(2-oxo-1H-pyridine-3-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324147
3,5-dichloro-4-[(6-chloropyridine-2-carbonyl)amino]benzoic acid
CID 82812539
6-chloro-N-(1,3-thiazol-5-ylmethyl)pyridine-2-carboxamide
CID 104579396

Frequently Asked Questions

What is the IUPAC name of 2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid (CID 114324212) is 2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(CNC(=O)c2cccc(Cl)n2)c1.
What is the InChIKey of 2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
The InChIKey is JJUUXNNUVVUIPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O3/c14-11-3-1-2-10(17-11)12(18)16-7-9-6-8(13(19)20)4-5-15-9/h1-6H,7H2,(H,16,18)(H,19,20).
What are the key properties of 2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid?
2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid has a molecular weight of 291.69 g/mol, XLogP of 1.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(6-chloropyridine-2-carbonyl)amino]methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 114324212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).