3-chloro-4-fluoro-5-methoxypyridine

C6H5ClFNO — CID 91216410

IUPAC3-chloro-4-fluoro-5-methoxypyridine
SMILESCOc1cncc(Cl)c1F
InChIInChI=1S/C6H5ClFNO/c1-10-5-3-9-2-4(7)6(5)8/h2-3H,1H3
InChIKeyZAWZHXVXMCCCEB-UHFFFAOYSA-N
MW161.56 g/mol
LogP1.88
Rot. Bonds1

About 3-chloro-4-fluoro-5-methoxypyridine

3-chloro-4-fluoro-5-methoxypyridine (PubChem CID 91216410) has the molecular formula C6H5ClFNO and a molecular weight of 161.56 g/mol. Its IUPAC name is 3-chloro-4-fluoro-5-methoxypyridine.

Molecular Properties

Compound Name3-chloro-4-fluoro-5-methoxypyridine
PubChem CID91216410
Molecular FormulaC6H5ClFNO
Molecular Weight161.56 g/mol
Exact Mass161.00
IUPAC Name3-chloro-4-fluoro-5-methoxypyridine
SMILESCOc1cncc(Cl)c1F
InChIInChI=1S/C6H5ClFNO/c1-10-5-3-9-2-4(7)6(5)8/h2-3H,1H3
InChIKeyZAWZHXVXMCCCEB-UHFFFAOYSA-N
XLogP1.88
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.56
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-chloro-4-fluoro-5-methoxypyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-chloro-4-fluoro-5-methoxypyridine?
The IUPAC name of 3-chloro-4-fluoro-5-methoxypyridine (CID 91216410) is 3-chloro-4-fluoro-5-methoxypyridine.
What is the SMILES notation for 3-chloro-4-fluoro-5-methoxypyridine?
The canonical SMILES for 3-chloro-4-fluoro-5-methoxypyridine is COc1cncc(Cl)c1F.
What is the InChIKey of 3-chloro-4-fluoro-5-methoxypyridine?
The InChIKey is ZAWZHXVXMCCCEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO/c1-10-5-3-9-2-4(7)6(5)8/h2-3H,1H3.
What are the key properties of 3-chloro-4-fluoro-5-methoxypyridine?
3-chloro-4-fluoro-5-methoxypyridine has a molecular weight of 161.56 g/mol, XLogP of 1.88, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-4-fluoro-5-methoxypyridine is sourced from PubChem (CID 91216410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).