3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid

C12H13ClN4O2 — CID 106042704

IUPAC3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
SMILESCc1c(CNc2nccc(C(=O)O)c2Cl)cnn1C
InChIInChI=1S/C12H13ClN4O2/c1-7-8(6-16-17(7)2)5-15-11-10(13)9(12(18)19)3-4-14-11/h3-4,6H,5H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyKGYCEUKKEYHCRQ-UHFFFAOYSA-N
MW280.72 g/mol
LogP2.09
Rot. Bonds4

About 3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid

3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid (PubChem CID 106042704) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
PubChem CID106042704
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
SMILESCc1c(CNc2nccc(C(=O)O)c2Cl)cnn1C
InChIInChI=1S/C12H13ClN4O2/c1-7-8(6-16-17(7)2)5-15-11-10(13)9(12(18)19)3-4-14-11/h3-4,6H,5H2,1-2H3,(H,14,15)(H,18,19)
InChIKeyKGYCEUKKEYHCRQ-UHFFFAOYSA-N
XLogP2.09
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methylpyridine-3-carboxylic acid
CID 106042723
2-chloro-4-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoic acid
CID 106042702
5-chloro-6-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-3-carboxylic acid
CID 106034383
5-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid
CID 106034629
3-chloro-2-[(2-fluorophenyl)methylamino]pyridine-4-carboxylic acid
CID 107061814
3-chloro-2-[(3-ethyl-2-pyridinyl)methylamino]pyridine-4-carboxylic acid
CID 107062918
4-[(1,5-dimethylpyrazol-4-yl)methylamino]-2,3-difluorobenzoic acid
CID 106042688
3-chloro-2-[(2,4-difluorophenyl)methylamino]pyridine-4-carboxylic acid
CID 107061923
3-chloro-2-[(3-ethylthiophen-2-yl)methylamino]pyridine-4-carboxylic acid
CID 107062834
5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-fluorobenzoic acid
CID 79578811
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-1H-pyrazin-2-one
CID 103858282
3-chloro-2-[2-(2-methylphenyl)ethylamino]pyridine-4-carboxylic acid
CID 107062803

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid?
The IUPAC name of 3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid (CID 106042704) is 3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid is Cc1c(CNc2nccc(C(=O)O)c2Cl)cnn1C.
What is the InChIKey of 3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid?
The InChIKey is KGYCEUKKEYHCRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-7-8(6-16-17(7)2)5-15-11-10(13)9(12(18)19)3-4-14-11/h3-4,6H,5H2,1-2H3,(H,14,15)(H,18,19).
What are the key properties of 3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid?
3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid has a molecular weight of 280.72 g/mol, XLogP of 2.09, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-[(1,5-dimethylpyrazol-4-yl)methylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 106042704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).