ethyl 6-[2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methylpyrrol-1-yl]pyridine-2-carboxylate

C26H21Cl2FN2O3 — CID 69452973

About ethyl 6-[2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methylpyrrol-1-yl]pyridine-2-carboxylate

ethyl 6-[2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methylpyrrol-1-yl]pyridine-2-carboxylate (PubChem CID 69452973) has the molecular formula C26H21Cl2FN2O3 and a molecular weight of 499.37 g/mol. Its IUPAC name is ethyl 6-[2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methylpyrrol-1-yl]pyridine-2-carboxylate.

Molecular Properties

• Compound Name: ethyl 6-[2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methylpyrrol-1-yl]pyridine-2-carboxylate
• PubChem CID: 69452973
• Molecular Formula: C26H21Cl2FN2O3
• Molecular Weight: 499.37 g/mol
• Exact Mass: 498.09
• IUPAC Name: ethyl 6-[2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methylpyrrol-1-yl]pyridine-2-carboxylate
• SMILES: CCOC(=O)c1cccc(-n2ccc(C)c2-c2cc(Cl)ccc2OCc2c(F)cccc2Cl)n1
• InChI: InChI=1S/C26H21Cl2FN2O3/c1-3-33-26(32)22-8-5-9-24(30-22)31-13-12-16(2)25(31)18-14-17(27)10-11-23(18)34-15-19-20(28)6-4-7-21(19)29/h4-14H,3,15H2,1-2H3
• InChIKey: LPZROESCQOEKOB-UHFFFAOYSA-N
• XLogP: 7.05
• TPSA: 53.35 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	499.37
LogP ≤ 5	7.05
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methylpyrrol-1-yl]pyridine-2-carboxylate?

The IUPAC name of ethyl 6-[2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methylpyrrol-1-yl]pyridine-2-carboxylate (CID 69452973) is ethyl 6-[2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methylpyrrol-1-yl]pyridine-2-carboxylate.

What is the SMILES notation for ethyl 6-[2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methylpyrrol-1-yl]pyridine-2-carboxylate?

The canonical SMILES for ethyl 6-[2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methylpyrrol-1-yl]pyridine-2-carboxylate is CCOC(=O)c1cccc(-n2ccc(C)c2-c2cc(Cl)ccc2OCc2c(F)cccc2Cl)n1.

What is the InChIKey of ethyl 6-[2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methylpyrrol-1-yl]pyridine-2-carboxylate?

The InChIKey is LPZROESCQOEKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl2FN2O3/c1-3-33-26(32)22-8-5-9-24(30-22)31-13-12-16(2)25(31)18-14-17(27)10-11-23(18)34-15-19-20(28)6-4-7-21(19)29/h4-14H,3,15H2,1-2H3.

What are the key properties of ethyl 6-[2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methylpyrrol-1-yl]pyridine-2-carboxylate?

ethyl 6-[2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methylpyrrol-1-yl]pyridine-2-carboxylate has a molecular weight of 499.37 g/mol, XLogP of 7.05, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 6-[2-[5-chloro-2-[(2-chloro-6-fluorophenyl)methoxy]phenyl]-3-methylpyrrol-1-yl]pyridine-2-carboxylate is sourced from PubChem (CID 69452973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).