ZCTQAPLVKVEKHQ-UHFFFAOYSA-N

C₇H₆ClF₂NO — CID 118816811

About ZCTQAPLVKVEKHQ-UHFFFAOYSA-N

ZCTQAPLVKVEKHQ-UHFFFAOYSA-N (PubChem CID 118816811) has the molecular formula C₇H₆ClF₂NO and a molecular weight of 193.58 g/mol. Its IUPAC name is 4-chloro-3-(difluoromethyl)-2-methoxypyridine.

Molecular Properties

• Compound Name: ZCTQAPLVKVEKHQ-UHFFFAOYSA-N
• PubChem CID: 118816811
• Molecular Formula: C₇H₆ClF₂NO
• Molecular Weight: 193.58 g/mol
• Exact Mass: 193.01
• IUPAC Name: 4-chloro-3-(difluoromethyl)-2-methoxypyridine
• SMILES: COc1nccc(Cl)c1C(F)F
• InChI: InChI=1S/C7H6ClF2NO/c1-12-7-5(6(9)10)4(8)2-3-11-7/h2-3,6H,1H3
• InChIKey: ZCTQAPLVKVEKHQ-UHFFFAOYSA-N
• XLogP: 2.68
• TPSA: 22.12 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 2
• Heavy Atoms: 12
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	193.58
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of ZCTQAPLVKVEKHQ-UHFFFAOYSA-N?

The IUPAC name of ZCTQAPLVKVEKHQ-UHFFFAOYSA-N (CID 118816811) is 4-chloro-3-(difluoromethyl)-2-methoxypyridine.

What is the SMILES notation for ZCTQAPLVKVEKHQ-UHFFFAOYSA-N?

The canonical SMILES for ZCTQAPLVKVEKHQ-UHFFFAOYSA-N is COc1nccc(Cl)c1C(F)F.

What is the InChIKey of ZCTQAPLVKVEKHQ-UHFFFAOYSA-N?

The InChIKey is ZCTQAPLVKVEKHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO/c1-12-7-5(6(9)10)4(8)2-3-11-7/h2-3,6H,1H3.

What are the key properties of ZCTQAPLVKVEKHQ-UHFFFAOYSA-N?

ZCTQAPLVKVEKHQ-UHFFFAOYSA-N has a molecular weight of 193.58 g/mol, XLogP of 2.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for ZCTQAPLVKVEKHQ-UHFFFAOYSA-N is sourced from PubChem (CID 118816811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118816811 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.