5-chloro-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid

C12H10ClN3O2 — CID 159458826

IUPAC5-chloro-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid
SMILESCc1nc(Nc2cccnc2)c(C(=O)O)cc1Cl
InChIInChI=1S/C12H10ClN3O2/c1-7-10(13)5-9(12(17)18)11(15-7)16-8-3-2-4-14-6-8/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyLUICRNDAHCCJRL-UHFFFAOYSA-N
MW263.68 g/mol
LogP2.88
Rot. Bonds3

About 5-chloro-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid

5-chloro-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid (PubChem CID 159458826) has the molecular formula C12H10ClN3O2 and a molecular weight of 263.68 g/mol. Its IUPAC name is 5-chloro-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid
PubChem CID159458826
Molecular FormulaC12H10ClN3O2
Molecular Weight263.68 g/mol
Exact Mass263.05
IUPAC Name5-chloro-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid
SMILESCc1nc(Nc2cccnc2)c(C(=O)O)cc1Cl
InChIInChI=1S/C12H10ClN3O2/c1-7-10(13)5-9(12(17)18)11(15-7)16-8-3-2-4-14-6-8/h2-6H,1H3,(H,15,16)(H,17,18)
InChIKeyLUICRNDAHCCJRL-UHFFFAOYSA-N
XLogP2.88
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 5-chloro-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid (CID 159458826) is 5-chloro-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 5-chloro-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 5-chloro-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid is Cc1nc(Nc2cccnc2)c(C(=O)O)cc1Cl.
What is the InChIKey of 5-chloro-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid?
The InChIKey is LUICRNDAHCCJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3O2/c1-7-10(13)5-9(12(17)18)11(15-7)16-8-3-2-4-14-6-8/h2-6H,1H3,(H,15,16)(H,17,18).
What are the key properties of 5-chloro-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid?
5-chloro-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid has a molecular weight of 263.68 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-methyl-2-(pyridin-3-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 159458826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).