6-(4-chloroindazol-1-yl)pyridin-2-amine

C12H9ClN4 — CID 50963755

IUPAC6-(4-chloroindazol-1-yl)pyridin-2-amine
SMILESNc1cccc(-n2ncc3c(Cl)cccc32)n1
InChIInChI=1S/C12H9ClN4/c13-9-3-1-4-10-8(9)7-15-17(10)12-6-2-5-11(14)16-12/h1-7H,(H2,14,16)
InChIKeyIKEHSCPKBCNOEJ-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.66
Rot. Bonds1

About 6-(4-chloroindazol-1-yl)pyridin-2-amine

6-(4-chloroindazol-1-yl)pyridin-2-amine (PubChem CID 50963755) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 6-(4-chloroindazol-1-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(4-chloroindazol-1-yl)pyridin-2-amine
PubChem CID50963755
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name6-(4-chloroindazol-1-yl)pyridin-2-amine
SMILESNc1cccc(-n2ncc3c(Cl)cccc32)n1
InChIInChI=1S/C12H9ClN4/c13-9-3-1-4-10-8(9)7-15-17(10)12-6-2-5-11(14)16-12/h1-7H,(H2,14,16)
InChIKeyIKEHSCPKBCNOEJ-UHFFFAOYSA-N
XLogP2.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(4-chloroindazol-1-yl)pyridin-2-amine?
The IUPAC name of 6-(4-chloroindazol-1-yl)pyridin-2-amine (CID 50963755) is 6-(4-chloroindazol-1-yl)pyridin-2-amine.
What is the SMILES notation for 6-(4-chloroindazol-1-yl)pyridin-2-amine?
The canonical SMILES for 6-(4-chloroindazol-1-yl)pyridin-2-amine is Nc1cccc(-n2ncc3c(Cl)cccc32)n1.
What is the InChIKey of 6-(4-chloroindazol-1-yl)pyridin-2-amine?
The InChIKey is IKEHSCPKBCNOEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-9-3-1-4-10-8(9)7-15-17(10)12-6-2-5-11(14)16-12/h1-7H,(H2,14,16).
What are the key properties of 6-(4-chloroindazol-1-yl)pyridin-2-amine?
6-(4-chloroindazol-1-yl)pyridin-2-amine has a molecular weight of 244.69 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chloroindazol-1-yl)pyridin-2-amine is sourced from PubChem (CID 50963755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).