6-chloro-2-(2-ethylimidazol-1-yl)pyridin-3-amine

C10H11ClN4 — CID 115474382

IUPAC6-chloro-2-(2-ethylimidazol-1-yl)pyridin-3-amine
SMILESCCc1nccn1-c1nc(Cl)ccc1N
InChIInChI=1S/C10H11ClN4/c1-2-9-13-5-6-15(9)10-7(12)3-4-8(11)14-10/h3-6H,2,12H2,1H3
InChIKeyBDIVROXDCPCTEO-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.07
Rot. Bonds2

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

6-chloro-2-(2-ethylimidazol-1-yl)pyridin-3-amine (PubChem CID 115474382) has the molecular formula C10H11ClN4 and a molecular weight of 222.68 g/mol. Its IUPAC name is 6-chloro-2-(2-ethylimidazol-1-yl)pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-(2-ethylimidazol-1-yl)pyridin-3-amine
PubChem CID115474382
Molecular FormulaC10H11ClN4
Molecular Weight222.68 g/mol
Exact Mass222.07
IUPAC Name6-chloro-2-(2-ethylimidazol-1-yl)pyridin-3-amine
SMILESCCc1nccn1-c1nc(Cl)ccc1N
InChIInChI=1S/C10H11ClN4/c1-2-9-13-5-6-15(9)10-7(12)3-4-8(11)14-10/h3-6H,2,12H2,1H3
InChIKeyBDIVROXDCPCTEO-UHFFFAOYSA-N
XLogP2.07
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.07
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 6-chloro-2-(2-ethylimidazol-1-yl)pyridin-3-amine?
The IUPAC name of 6-chloro-2-(2-ethylimidazol-1-yl)pyridin-3-amine (CID 115474382) is 6-chloro-2-(2-ethylimidazol-1-yl)pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-(2-ethylimidazol-1-yl)pyridin-3-amine?
The canonical SMILES for 6-chloro-2-(2-ethylimidazol-1-yl)pyridin-3-amine is CCc1nccn1-c1nc(Cl)ccc1N.
What is the InChIKey of 6-chloro-2-(2-ethylimidazol-1-yl)pyridin-3-amine?
The InChIKey is BDIVROXDCPCTEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4/c1-2-9-13-5-6-15(9)10-7(12)3-4-8(11)14-10/h3-6H,2,12H2,1H3.
What are the key properties of 6-chloro-2-(2-ethylimidazol-1-yl)pyridin-3-amine?
6-chloro-2-(2-ethylimidazol-1-yl)pyridin-3-amine has a molecular weight of 222.68 g/mol, XLogP of 2.07, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(2-ethylimidazol-1-yl)pyridin-3-amine is sourced from PubChem (CID 115474382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).