2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid

C12H10ClN3O2 — CID 43343491

IUPAC2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(NCc2ccccn2)c1
InChIInChI=1S/C12H10ClN3O2/c13-10-5-8(12(17)18)6-11(16-10)15-7-9-3-1-2-4-14-9/h1-6H,7H2,(H,15,16)(H,17,18)
InChIKeyIZOVPKIYCOGRPM-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.44
Rot. Bonds4

About 2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid

2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid (PubChem CID 43343491) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
PubChem CID43343491
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
SMILESO=C(O)c1cc(Cl)nc(NCc2ccccn2)c1
InChIInChI=1S/C12H10ClN3O2/c13-10-5-8(12(17)18)6-11(16-10)15-7-9-3-1-2-4-14-9/h1-6H,7H2,(H,15,16)(H,17,18)
InChIKeyIZOVPKIYCOGRPM-UHFFFAOYSA-N
XLogP2.44
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.44
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-methyl-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
CID 113378528
2-[3,5-bis[4-carboxy-6-(pyridin-2-ylmethylamino)-2-pyridinyl]cyclohexyl]-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid
CID 25125007
6-chloro-2-N-(pyridin-2-ylmethyl)pyridine-2,4-diamine
CID 104923669
5-methylbenzene-1,3-dicarboxylic acid;N-(pyridin-2-ylmethyl)-1H-pyrazol-5-amine
CID 174601978
2-chloro-6-[(4-methylphenyl)methylamino]pyridine-4-carboxylic acid
CID 43343670
2-chloro-6-[(3-methyl-4-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 114700702
methyl 2-(benzylamino)-6-chloropyridine-4-carboxylate
CID 87562356
6-chloro-2-(2-methylpropyl)-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 82463221
methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate
CID 66287616
2-chloro-6-[(4-cyanophenyl)methylamino]pyridine-4-carboxylic acid
CID 62268789
2-chloro-6-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 62476257
2,6-diphenyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 59340687

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid (CID 43343491) is 2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid is O=C(O)c1cc(Cl)nc(NCc2ccccn2)c1.
What is the InChIKey of 2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid?
The InChIKey is IZOVPKIYCOGRPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c13-10-5-8(12(17)18)6-11(16-10)15-7-9-3-1-2-4-14-9/h1-6H,7H2,(H,15,16)(H,17,18).
What are the key properties of 2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid?
2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(pyridin-2-ylmethylamino)pyridine-4-carboxylic acid is sourced from PubChem (CID 43343491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).