6-chloro-1H-pyrazolo[4,3-c]pyridin-3-amine

C6H5ClN4 — CID 76847146

IUPAC6-chloro-1H-pyrazolo[4,3-c]pyridin-3-amine
SMILESNc1n[nH]c2cc(Cl)ncc12
InChIInChI=1S/C6H5ClN4/c7-5-1-4-3(2-9-5)6(8)11-10-4/h1-2H,(H3,8,10,11)
InChIKeyZGCFHYKQHHBJJZ-UHFFFAOYSA-N
MW168.59 g/mol
LogP1.19
Rot. Bonds

About 6-chloro-1H-pyrazolo[4,3-c]pyridin-3-amine

6-chloro-1H-pyrazolo[4,3-c]pyridin-3-amine (PubChem CID 76847146) has the molecular formula C6H5ClN4 and a molecular weight of 168.59 g/mol. Its IUPAC name is 6-chloro-1H-pyrazolo[4,3-c]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-1H-pyrazolo[4,3-c]pyridin-3-amine
PubChem CID76847146
Molecular FormulaC6H5ClN4
Molecular Weight168.59 g/mol
Exact Mass168.02
IUPAC Name6-chloro-1H-pyrazolo[4,3-c]pyridin-3-amine
SMILESNc1n[nH]c2cc(Cl)ncc12
InChIInChI=1S/C6H5ClN4/c7-5-1-4-3(2-9-5)6(8)11-10-4/h1-2H,(H3,8,10,11)
InChIKeyZGCFHYKQHHBJJZ-UHFFFAOYSA-N
XLogP1.19
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.59
LogP ≤ 51.19
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1H-pyrazolo[4,3-c]pyridin-3-amine?
The IUPAC name of 6-chloro-1H-pyrazolo[4,3-c]pyridin-3-amine (CID 76847146) is 6-chloro-1H-pyrazolo[4,3-c]pyridin-3-amine.
What is the SMILES notation for 6-chloro-1H-pyrazolo[4,3-c]pyridin-3-amine?
The canonical SMILES for 6-chloro-1H-pyrazolo[4,3-c]pyridin-3-amine is Nc1n[nH]c2cc(Cl)ncc12.
What is the InChIKey of 6-chloro-1H-pyrazolo[4,3-c]pyridin-3-amine?
The InChIKey is ZGCFHYKQHHBJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN4/c7-5-1-4-3(2-9-5)6(8)11-10-4/h1-2H,(H3,8,10,11).
What are the key properties of 6-chloro-1H-pyrazolo[4,3-c]pyridin-3-amine?
6-chloro-1H-pyrazolo[4,3-c]pyridin-3-amine has a molecular weight of 168.59 g/mol, XLogP of 1.19, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1H-pyrazolo[4,3-c]pyridin-3-amine is sourced from PubChem (CID 76847146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).