2-chloro-6-(5,6-difluoro-1H-indazol-3-yl)pyridin-3-amine

C12H7ClF2N4 — CID 167350700

IUPAC2-chloro-6-(5,6-difluoro-1H-indazol-3-yl)pyridin-3-amine
SMILESNc1ccc(-c2n[nH]c3cc(F)c(F)cc23)nc1Cl
InChIInChI=1S/C12H7ClF2N4/c13-12-8(16)1-2-9(17-12)11-5-3-6(14)7(15)4-10(5)18-19-11/h1-4H,16H2,(H,18,19)
InChIKeyJQQMHSZOCVCWQI-UHFFFAOYSA-N
MW280.67 g/mol
LogP3.14
Rot. Bonds1

About 2-chloro-6-(5,6-difluoro-1H-indazol-3-yl)pyridin-3-amine

2-chloro-6-(5,6-difluoro-1H-indazol-3-yl)pyridin-3-amine (PubChem CID 167350700) has the molecular formula C12H7ClF2N4 and a molecular weight of 280.67 g/mol. Its IUPAC name is 2-chloro-6-(5,6-difluoro-1H-indazol-3-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-6-(5,6-difluoro-1H-indazol-3-yl)pyridin-3-amine
PubChem CID167350700
Molecular FormulaC12H7ClF2N4
Molecular Weight280.67 g/mol
Exact Mass280.03
IUPAC Name2-chloro-6-(5,6-difluoro-1H-indazol-3-yl)pyridin-3-amine
SMILESNc1ccc(-c2n[nH]c3cc(F)c(F)cc23)nc1Cl
InChIInChI=1S/C12H7ClF2N4/c13-12-8(16)1-2-9(17-12)11-5-3-6(14)7(15)4-10(5)18-19-11/h1-4H,16H2,(H,18,19)
InChIKeyJQQMHSZOCVCWQI-UHFFFAOYSA-N
XLogP3.14
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.67
LogP ≤ 53.14
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-(5,6-difluoro-1H-indazol-3-yl)-2-(trifluoromethyl)pyridin-3-amine
CID 167350811
6-(6-fluoro-5-methyl-1H-indazol-3-yl)-2-methylpyridine-3-carbonitrile
CID 170364766
6-(5-fluoro-6-iodo-1H-indazol-3-yl)-4-methyl-1,2,3,4-tetrahydro-1,5-naphthyridine
CID 170364630
4-(5-bromo-1H-indazol-3-yl)pyrimidin-2-amine
CID 170898403
1-chloro-8-fluoroisoquinolin-5-amine
CID 115020872
3-(4-fluorophenyl)-5-iodo-6-methyl-1H-indazole
CID 69003526
3-(2,5-dichlorophenyl)-1H-indazol-4-amine
CID 39219303
6,7-difluoronaphthalen-1-amine
CID 117275397
3-(3-chlorophenyl)-1H-indazol-6-amine
CID 39218524
6-fluoro-3-(3-fluorophenyl)-1H-indazole-5-carbonitrile
CID 22260849
6-fluoro-3-(2-pyridin-3-ylethenyl)-1H-indazol-5-amine
CID 68933883
6,7-difluoro-4-oxo-1H-cinnoline-3-carboxylic acid
CID 112757336

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(5,6-difluoro-1H-indazol-3-yl)pyridin-3-amine?
The IUPAC name of 2-chloro-6-(5,6-difluoro-1H-indazol-3-yl)pyridin-3-amine (CID 167350700) is 2-chloro-6-(5,6-difluoro-1H-indazol-3-yl)pyridin-3-amine.
What is the SMILES notation for 2-chloro-6-(5,6-difluoro-1H-indazol-3-yl)pyridin-3-amine?
The canonical SMILES for 2-chloro-6-(5,6-difluoro-1H-indazol-3-yl)pyridin-3-amine is Nc1ccc(-c2n[nH]c3cc(F)c(F)cc23)nc1Cl.
What is the InChIKey of 2-chloro-6-(5,6-difluoro-1H-indazol-3-yl)pyridin-3-amine?
The InChIKey is JQQMHSZOCVCWQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClF2N4/c13-12-8(16)1-2-9(17-12)11-5-3-6(14)7(15)4-10(5)18-19-11/h1-4H,16H2,(H,18,19).
What are the key properties of 2-chloro-6-(5,6-difluoro-1H-indazol-3-yl)pyridin-3-amine?
2-chloro-6-(5,6-difluoro-1H-indazol-3-yl)pyridin-3-amine has a molecular weight of 280.67 g/mol, XLogP of 3.14, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(5,6-difluoro-1H-indazol-3-yl)pyridin-3-amine is sourced from PubChem (CID 167350700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).