2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine

C9H9ClN4 — CID 146020711

IUPAC2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine
SMILESCn1ccc(-c2cc(N)cc(Cl)n2)n1
InChIInChI=1S/C9H9ClN4/c1-14-3-2-7(13-14)8-4-6(11)5-9(10)12-8/h2-5H,1H3,(H2,11,12)
InChIKeyCUJHHPMJAOZYNV-UHFFFAOYSA-N
MW208.65 g/mol
LogP1.72
Rot. Bonds1

About 2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine

2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine (PubChem CID 146020711) has the molecular formula C9H9ClN4 and a molecular weight of 208.65 g/mol. Its IUPAC name is 2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine.

Molecular Properties

Compound Name2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine
PubChem CID146020711
Molecular FormulaC9H9ClN4
Molecular Weight208.65 g/mol
Exact Mass208.05
IUPAC Name2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine
SMILESCn1ccc(-c2cc(N)cc(Cl)n2)n1
InChIInChI=1S/C9H9ClN4/c1-14-3-2-7(13-14)8-4-6(11)5-9(10)12-8/h2-5H,1H3,(H2,11,12)
InChIKeyCUJHHPMJAOZYNV-UHFFFAOYSA-N
XLogP1.72
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.65
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine?
The IUPAC name of 2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine (CID 146020711) is 2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine.
What is the SMILES notation for 2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine?
The canonical SMILES for 2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine is Cn1ccc(-c2cc(N)cc(Cl)n2)n1.
What is the InChIKey of 2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine?
The InChIKey is CUJHHPMJAOZYNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN4/c1-14-3-2-7(13-14)8-4-6(11)5-9(10)12-8/h2-5H,1H3,(H2,11,12).
What are the key properties of 2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine?
2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine has a molecular weight of 208.65 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(1-methylpyrazol-3-yl)pyridin-4-amine is sourced from PubChem (CID 146020711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).