6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid

C12H13ClN4O2 — CID 55183263

IUPAC6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
SMILESCN(Cc1nccn1C)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H13ClN4O2/c1-16-6-5-14-10(16)7-17(2)11-8(12(18)19)3-4-9(13)15-11/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyUQAKKKHDLAHRDG-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.80
Rot. Bonds4

About 6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid

6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid (PubChem CID 55183263) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
PubChem CID55183263
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
SMILESCN(Cc1nccn1C)c1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C12H13ClN4O2/c1-16-6-5-14-10(16)7-17(2)11-8(12(18)19)3-4-9(13)15-11/h3-6H,7H2,1-2H3,(H,18,19)
InChIKeyUQAKKKHDLAHRDG-UHFFFAOYSA-N
XLogP1.80
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-6-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 63025804
6-chloro-2-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxylic acid
CID 63380049
6-chloro-2-[methyl(1,3-thiazol-4-ylmethyl)amino]pyridine-3-carboxylic acid
CID 55184898
6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 63379816
6-methyl-4-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid
CID 81243730
6-chloro-2-[methyl(pentyl)amino]pyridine-3-carboxylic acid
CID 63380325
2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]ethyl]benzoic acid
CID 104548761
2-[2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]-2-oxoethyl]benzoic acid
CID 104601433
6-chloro-2-[5-hydroxypentyl(methyl)amino]pyridine-3-carboxylic acid
CID 107200362
3-(6-chloro-2-methyl-3-pyridinyl)-1-[(1-methylimidazol-2-yl)methyl]-1-propylurea
CID 72916605
5-bromo-2-chloro-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyrimidin-4-amine
CID 79073105
3-chloro-5-(chloromethyl)-N-methyl-N-[(1-methylimidazol-2-yl)methyl]pyridin-2-amine
CID 63025583

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid (CID 55183263) is 6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid is CN(Cc1nccn1C)c1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid?
The InChIKey is UQAKKKHDLAHRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-16-6-5-14-10(16)7-17(2)11-8(12(18)19)3-4-9(13)15-11/h3-6H,7H2,1-2H3,(H,18,19).
What are the key properties of 6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid?
6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid has a molecular weight of 280.72 g/mol, XLogP of 1.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[methyl-[(1-methylimidazol-2-yl)methyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 55183263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).