6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid

C9H11ClN2O2 — CID 63376973

IUPAC6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid
SMILESCC(C)Nc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C9H11ClN2O2/c1-5(2)11-8-6(9(13)14)3-4-7(10)12-8/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKeyGYRKLKAIUVXRPR-UHFFFAOYSA-N
MW214.65 g/mol
LogP2.25
Rot. Bonds3

About 6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid

6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid (PubChem CID 63376973) has the molecular formula C9H11ClN2O2 and a molecular weight of 214.65 g/mol. Its IUPAC name is 6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid
PubChem CID63376973
Molecular FormulaC9H11ClN2O2
Molecular Weight214.65 g/mol
Exact Mass214.05
IUPAC Name6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid
SMILESCC(C)Nc1nc(Cl)ccc1C(=O)O
InChIInChI=1S/C9H11ClN2O2/c1-5(2)11-8-6(9(13)14)3-4-7(10)12-8/h3-5H,1-2H3,(H,11,12)(H,13,14)
InChIKeyGYRKLKAIUVXRPR-UHFFFAOYSA-N
XLogP2.25
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.65
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-2-(pentan-2-ylamino)pyridine-3-carboxylic acid
CID 63376636
6-chloro-2-(1,3-dihydroxypropan-2-ylamino)pyridine-3-carboxylic acid
CID 65313622
6-chloro-2-[(1-hydroxy-4-methylpentan-2-yl)amino]pyridine-3-carboxylic acid
CID 114093876
6-chloro-2-[1-(3-chlorophenyl)ethylamino]pyridine-3-carboxylic acid
CID 63537177
6-chloro-2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylic acid
CID 79241848
6-chloro-2-[4-(furan-2-yl)butan-2-ylamino]pyridine-3-carboxylic acid
CID 63379862
6-chloro-2-[(5-hydroxy-4-methylpentyl)amino]pyridine-3-carboxylic acid
CID 114152080
6-chloro-2-(3,5-dichloroanilino)pyridine-3-carboxylic acid
CID 55224523
6-chloro-2-[[2-(dimethylamino)-2-oxoethyl]amino]pyridine-3-carboxylic acid
CID 63380401
6-chloro-2-(3-methylbut-2-enylamino)pyridine-3-carboxylic acid
CID 106189848
6-chloro-2-[4-[methyl(propan-2-yl)amino]butylamino]pyridine-3-carboxylic acid
CID 63380062
6-chloro-2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxylic acid
CID 114093940

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid?
The IUPAC name of 6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid (CID 63376973) is 6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid.
What is the SMILES notation for 6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid?
The canonical SMILES for 6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid is CC(C)Nc1nc(Cl)ccc1C(=O)O.
What is the InChIKey of 6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid?
The InChIKey is GYRKLKAIUVXRPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O2/c1-5(2)11-8-6(9(13)14)3-4-7(10)12-8/h3-5H,1-2H3,(H,11,12)(H,13,14).
What are the key properties of 6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid?
6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid has a molecular weight of 214.65 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(propan-2-ylamino)pyridine-3-carboxylic acid is sourced from PubChem (CID 63376973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).