2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid

C10H9ClN2O5 — CID 103602693

IUPAC2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid
SMILESO=C(O)CC(NC(=O)c1cccnc1Cl)C(=O)O
InChIInChI=1S/C10H9ClN2O5/c11-8-5(2-1-3-12-8)9(16)13-6(10(17)18)4-7(14)15/h1-3,6H,4H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyOPNZEZOMRPEOND-UHFFFAOYSA-N
MW272.64 g/mol
LogP0.39
Rot. Bonds5

About 2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid

2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid (PubChem CID 103602693) has the molecular formula C10H9ClN2O5 and a molecular weight of 272.64 g/mol. Its IUPAC name is 2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid.

Molecular Properties

Compound Name2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid
PubChem CID103602693
Molecular FormulaC10H9ClN2O5
Molecular Weight272.64 g/mol
Exact Mass272.02
IUPAC Name2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid
SMILESO=C(O)CC(NC(=O)c1cccnc1Cl)C(=O)O
InChIInChI=1S/C10H9ClN2O5/c11-8-5(2-1-3-12-8)9(16)13-6(10(17)18)4-7(14)15/h1-3,6H,4H2,(H,13,16)(H,14,15)(H,17,18)
InChIKeyOPNZEZOMRPEOND-UHFFFAOYSA-N
XLogP0.39
TPSA116.59 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.64
LogP ≤ 50.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 114011869
2-[(2-chloropyridine-3-carbonyl)amino]hexanoic acid
CID 103602675
(2S)-2-[(2-hydroxybenzoyl)amino]butanedioic acid
CID 3043783
methyl 2-[(2-chloropyridine-3-carbonyl)amino]pentanoate
CID 102561066
2-chloro-N-[(1R)-1-phenylethyl]pyridine-3-carboxamide
CID 7657098
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
(2S)-2-benzamido-3-[4-[(2-chloropyridine-3-carbonyl)amino]phenyl]propanoic acid
CID 20711842
3-(2-chloro-3-pyridinyl)-3-oxopropanoic acid
CID 18331345
2-chloro-N-(4-methoxybutan-2-yl)pyridine-3-carboxamide
CID 62722481
2-chloro-N-(3-ethylpentan-2-yl)pyridine-3-carboxamide
CID 63836533
(2S)-2-[(2-methylbenzoyl)amino]butanedioic acid
CID 15342112
(2S)-2-[(2-bromopyridine-3-carbonyl)amino]-4-methoxy-4-oxobutanoic acid
CID 114036704

Frequently Asked Questions

What is the IUPAC name of 2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid?
The IUPAC name of 2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid (CID 103602693) is 2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid.
What is the SMILES notation for 2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid?
The canonical SMILES for 2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid is O=C(O)CC(NC(=O)c1cccnc1Cl)C(=O)O.
What is the InChIKey of 2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid?
The InChIKey is OPNZEZOMRPEOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O5/c11-8-5(2-1-3-12-8)9(16)13-6(10(17)18)4-7(14)15/h1-3,6H,4H2,(H,13,16)(H,14,15)(H,17,18).
What are the key properties of 2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid?
2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid has a molecular weight of 272.64 g/mol, XLogP of 0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chloropyridine-3-carbonyl)amino]butanedioic acid is sourced from PubChem (CID 103602693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).