4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine

C7H6Cl2N4 — CID 21083920

IUPAC4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine
SMILESCn1cnc2c(Cl)nc(Cl)c(N)c21
InChIInChI=1S/C7H6Cl2N4/c1-13-2-11-4-5(13)3(10)6(8)12-7(4)9/h2H,10H2,1H3
InChIKeyFSUVFALYBDURBY-UHFFFAOYSA-N
MW217.06 g/mol
LogP1.86
Rot. Bonds

About 4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine

4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine (PubChem CID 21083920) has the molecular formula C7H6Cl2N4 and a molecular weight of 217.06 g/mol. Its IUPAC name is 4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine.

Molecular Properties

Compound Name4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine
PubChem CID21083920
Molecular FormulaC7H6Cl2N4
Molecular Weight217.06 g/mol
Exact Mass216.00
IUPAC Name4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine
SMILESCn1cnc2c(Cl)nc(Cl)c(N)c21
InChIInChI=1S/C7H6Cl2N4/c1-13-2-11-4-5(13)3(10)6(8)12-7(4)9/h2H,10H2,1H3
InChIKeyFSUVFALYBDURBY-UHFFFAOYSA-N
XLogP1.86
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.06
LogP ≤ 51.86
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 4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine?
The IUPAC name of 4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine (CID 21083920) is 4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine.
What is the SMILES notation for 4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine?
The canonical SMILES for 4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine is Cn1cnc2c(Cl)nc(Cl)c(N)c21.
What is the InChIKey of 4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine?
The InChIKey is FSUVFALYBDURBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2N4/c1-13-2-11-4-5(13)3(10)6(8)12-7(4)9/h2H,10H2,1H3.
What are the key properties of 4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine?
4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine has a molecular weight of 217.06 g/mol, XLogP of 1.86, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dichloro-1-methylimidazo[4,5-c]pyridin-7-amine is sourced from PubChem (CID 21083920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).