4-(3-carboxy-2-pyridinyl)-2-chloropyridine-3-carboxylic acid

C12H7ClN2O4 — CID 166072546

IUPAC4-(3-carboxy-2-pyridinyl)-2-chloropyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-c1ccnc(Cl)c1C(=O)O
InChIInChI=1S/C12H7ClN2O4/c13-10-8(12(18)19)6(3-5-15-10)9-7(11(16)17)2-1-4-14-9/h1-5H,(H,16,17)(H,18,19)
InChIKeyBQEFZGUYMOGOJS-UHFFFAOYSA-N
MW278.65 g/mol
LogP2.19
Rot. Bonds3

About 4-(3-carboxy-2-pyridinyl)-2-chloropyridine-3-carboxylic acid

4-(3-carboxy-2-pyridinyl)-2-chloropyridine-3-carboxylic acid (PubChem CID 166072546) has the molecular formula C12H7ClN2O4 and a molecular weight of 278.65 g/mol. Its IUPAC name is 4-(3-carboxy-2-pyridinyl)-2-chloropyridine-3-carboxylic acid.

Molecular Properties

Compound Name4-(3-carboxy-2-pyridinyl)-2-chloropyridine-3-carboxylic acid
PubChem CID166072546
Molecular FormulaC12H7ClN2O4
Molecular Weight278.65 g/mol
Exact Mass278.01
IUPAC Name4-(3-carboxy-2-pyridinyl)-2-chloropyridine-3-carboxylic acid
SMILESO=C(O)c1cccnc1-c1ccnc(Cl)c1C(=O)O
InChIInChI=1S/C12H7ClN2O4/c13-10-8(12(18)19)6(3-5-15-10)9-7(11(16)17)2-1-4-14-9/h1-5H,(H,16,17)(H,18,19)
InChIKeyBQEFZGUYMOGOJS-UHFFFAOYSA-N
XLogP2.19
TPSA100.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.65
LogP ≤ 52.19
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

2-(2-chloro-3-methyl-4-pyridinyl)pyridine-3-carboxylic acid
CID 118436010
2-(2-chlorophenyl)pyridine-3-carboxylic acid
CID 52983918
2-(2,4,5-trichlorophenyl)pyridine-3-carboxylic acid
CID 118813611
2-chloro-4-(4-fluorophenyl)pyridine-3-carboxylic acid
CID 23089929
2-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53224258
2-[3-carboxy-2-(hydroxymethyl)-4-methylphenyl]pyridine-3-carboxylic acid
CID 19700956
1-chloroisoquinoline-5-carboxylic acid
CID 21192483
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
2-(5,6,7,8-tetrahydronaphthalen-1-yl)pyridine-3-carboxylic acid
CID 70407654
(2-chloro-3-pyridinyl)-(3,4-dihydroxypyrrolidin-1-yl)methanone
CID 106668646
2-(1,2-oxazol-5-yl)pyridine-3-carboxylic acid
CID 84662398
2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride
CID 86185812

Frequently Asked Questions

What is the IUPAC name of 4-(3-carboxy-2-pyridinyl)-2-chloropyridine-3-carboxylic acid?
The IUPAC name of 4-(3-carboxy-2-pyridinyl)-2-chloropyridine-3-carboxylic acid (CID 166072546) is 4-(3-carboxy-2-pyridinyl)-2-chloropyridine-3-carboxylic acid.
What is the SMILES notation for 4-(3-carboxy-2-pyridinyl)-2-chloropyridine-3-carboxylic acid?
The canonical SMILES for 4-(3-carboxy-2-pyridinyl)-2-chloropyridine-3-carboxylic acid is O=C(O)c1cccnc1-c1ccnc(Cl)c1C(=O)O.
What is the InChIKey of 4-(3-carboxy-2-pyridinyl)-2-chloropyridine-3-carboxylic acid?
The InChIKey is BQEFZGUYMOGOJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O4/c13-10-8(12(18)19)6(3-5-15-10)9-7(11(16)17)2-1-4-14-9/h1-5H,(H,16,17)(H,18,19).
What are the key properties of 4-(3-carboxy-2-pyridinyl)-2-chloropyridine-3-carboxylic acid?
4-(3-carboxy-2-pyridinyl)-2-chloropyridine-3-carboxylic acid has a molecular weight of 278.65 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-carboxy-2-pyridinyl)-2-chloropyridine-3-carboxylic acid is sourced from PubChem (CID 166072546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).