2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid

C12H13ClN4O2 — CID 106105316

IUPAC2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid
SMILESCn1ccc(CCNc2cc(C(=O)O)cc(Cl)n2)n1
InChIInChI=1S/C12H13ClN4O2/c1-17-5-3-9(16-17)2-4-14-11-7-8(12(18)19)6-10(13)15-11/h3,5-7H,2,4H2,1H3,(H,14,15)(H,18,19)
InChIKeyKLKPAKHCRMPELE-UHFFFAOYSA-N
MW280.72 g/mol
LogP1.82
Rot. Bonds5

About 2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid

2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid (PubChem CID 106105316) has the molecular formula C12H13ClN4O2 and a molecular weight of 280.72 g/mol. Its IUPAC name is 2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid
PubChem CID106105316
Molecular FormulaC12H13ClN4O2
Molecular Weight280.72 g/mol
Exact Mass280.07
IUPAC Name2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid
SMILESCn1ccc(CCNc2cc(C(=O)O)cc(Cl)n2)n1
InChIInChI=1S/C12H13ClN4O2/c1-17-5-3-9(16-17)2-4-14-11-7-8(12(18)19)6-10(13)15-11/h3,5-7H,2,4H2,1H3,(H,14,15)(H,18,19)
InChIKeyKLKPAKHCRMPELE-UHFFFAOYSA-N
XLogP1.82
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.72
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-3-carboxylic acid
CID 106105319
methyl 2-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylate
CID 106105292
3-methyl-4-[2-(1-methylpyrazol-3-yl)ethylamino]benzoic acid
CID 106105331
2-chloro-6-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]pyridine-4-carboxylic acid
CID 114186360
2-[(3-amino-3-oxopropyl)amino]-6-chloropyridine-4-carboxylic acid
CID 43553797
2,6-dichloro-N-[(1-methylpyrazol-3-yl)methyl]pyridine-4-carboxamide
CID 82882213
2-methyl-4-N-[2-(1-methylpyrazol-3-yl)ethyl]pyrimidine-4,6-diamine
CID 106106755
2-chloro-6-[2-(methanesulfonamido)ethylamino]pyridine-4-carboxylic acid
CID 43546272
2-(ethylamino)-6-methyl-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106106391
2-[(4-amino-4-oxobutyl)amino]-6-chloropyridine-4-carboxylic acid
CID 60864506
2-chloro-6-(2-sulfamoylethylamino)pyridine-4-carboxylic acid
CID 43552562
2-[2-(1-methylpyrazol-3-yl)ethylamino]quinoline-4-carbonitrile
CID 104626534

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid?
The IUPAC name of 2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid (CID 106105316) is 2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid?
The canonical SMILES for 2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid is Cn1ccc(CCNc2cc(C(=O)O)cc(Cl)n2)n1.
What is the InChIKey of 2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid?
The InChIKey is KLKPAKHCRMPELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O2/c1-17-5-3-9(16-17)2-4-14-11-7-8(12(18)19)6-10(13)15-11/h3,5-7H,2,4H2,1H3,(H,14,15)(H,18,19).
What are the key properties of 2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid?
2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid has a molecular weight of 280.72 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[2-(1-methylpyrazol-3-yl)ethylamino]pyridine-4-carboxylic acid is sourced from PubChem (CID 106105316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).