3,5-dichloro-2-(2-methylimidazol-1-yl)pyridine

C9H7Cl2N3 — CID 63811503

IUPAC3,5-dichloro-2-(2-methylimidazol-1-yl)pyridine
SMILESCc1nccn1-c1ncc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl2N3/c1-6-12-2-3-14(6)9-8(11)4-7(10)5-13-9/h2-5H,1H3
InChIKeyFUCTUXYSFATRRR-UHFFFAOYSA-N
MW228.08 g/mol
LogP2.88
Rot. Bonds1

About 3,5-dichloro-2-(2-methylimidazol-1-yl)pyridine

3,5-dichloro-2-(2-methylimidazol-1-yl)pyridine (PubChem CID 63811503) has the molecular formula C9H7Cl2N3 and a molecular weight of 228.08 g/mol. Its IUPAC name is 3,5-dichloro-2-(2-methylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name3,5-dichloro-2-(2-methylimidazol-1-yl)pyridine
PubChem CID63811503
Molecular FormulaC9H7Cl2N3
Molecular Weight228.08 g/mol
Exact Mass227.00
IUPAC Name3,5-dichloro-2-(2-methylimidazol-1-yl)pyridine
SMILESCc1nccn1-c1ncc(Cl)cc1Cl
InChIInChI=1S/C9H7Cl2N3/c1-6-12-2-3-14(6)9-8(11)4-7(10)5-13-9/h2-5H,1H3
InChIKeyFUCTUXYSFATRRR-UHFFFAOYSA-N
XLogP2.88
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.08
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-(2-methylimidazol-1-yl)pyridine?
The IUPAC name of 3,5-dichloro-2-(2-methylimidazol-1-yl)pyridine (CID 63811503) is 3,5-dichloro-2-(2-methylimidazol-1-yl)pyridine.
What is the SMILES notation for 3,5-dichloro-2-(2-methylimidazol-1-yl)pyridine?
The canonical SMILES for 3,5-dichloro-2-(2-methylimidazol-1-yl)pyridine is Cc1nccn1-c1ncc(Cl)cc1Cl.
What is the InChIKey of 3,5-dichloro-2-(2-methylimidazol-1-yl)pyridine?
The InChIKey is FUCTUXYSFATRRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7Cl2N3/c1-6-12-2-3-14(6)9-8(11)4-7(10)5-13-9/h2-5H,1H3.
What are the key properties of 3,5-dichloro-2-(2-methylimidazol-1-yl)pyridine?
3,5-dichloro-2-(2-methylimidazol-1-yl)pyridine has a molecular weight of 228.08 g/mol, XLogP of 2.88, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-(2-methylimidazol-1-yl)pyridine is sourced from PubChem (CID 63811503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).