4-chloro-2-[1-(difluoromethyl)pyrrol-3-yl]-6-(4-fluorophenyl)pyridine

C16H10ClF3N2 — CID 169043440

IUPAC4-chloro-2-[1-(difluoromethyl)pyrrol-3-yl]-6-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2cc(Cl)cc(-c3ccn(C(F)F)c3)n2)cc1
InChIInChI=1S/C16H10ClF3N2/c17-12-7-14(10-1-3-13(18)4-2-10)21-15(8-12)11-5-6-22(9-11)16(19)20/h1-9,16H
InChIKeyCZBYWALBHOMHQY-UHFFFAOYSA-N
MW322.72 g/mol
LogP5.40
Rot. Bonds3

About 4-chloro-2-[1-(difluoromethyl)pyrrol-3-yl]-6-(4-fluorophenyl)pyridine

4-chloro-2-[1-(difluoromethyl)pyrrol-3-yl]-6-(4-fluorophenyl)pyridine (PubChem CID 169043440) has the molecular formula C16H10ClF3N2 and a molecular weight of 322.72 g/mol. Its IUPAC name is 4-chloro-2-[1-(difluoromethyl)pyrrol-3-yl]-6-(4-fluorophenyl)pyridine.

Molecular Properties

Compound Name4-chloro-2-[1-(difluoromethyl)pyrrol-3-yl]-6-(4-fluorophenyl)pyridine
PubChem CID169043440
Molecular FormulaC16H10ClF3N2
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Name4-chloro-2-[1-(difluoromethyl)pyrrol-3-yl]-6-(4-fluorophenyl)pyridine
SMILESFc1ccc(-c2cc(Cl)cc(-c3ccn(C(F)F)c3)n2)cc1
InChIInChI=1S/C16H10ClF3N2/c17-12-7-14(10-1-3-13(18)4-2-10)21-15(8-12)11-5-6-22(9-11)16(19)20/h1-9,16H
InChIKeyCZBYWALBHOMHQY-UHFFFAOYSA-N
XLogP5.40
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.72
LogP ≤ 55.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[1-(difluoromethyl)pyrrol-3-yl]-6-(4-fluorophenyl)pyridine?
The IUPAC name of 4-chloro-2-[1-(difluoromethyl)pyrrol-3-yl]-6-(4-fluorophenyl)pyridine (CID 169043440) is 4-chloro-2-[1-(difluoromethyl)pyrrol-3-yl]-6-(4-fluorophenyl)pyridine.
What is the SMILES notation for 4-chloro-2-[1-(difluoromethyl)pyrrol-3-yl]-6-(4-fluorophenyl)pyridine?
The canonical SMILES for 4-chloro-2-[1-(difluoromethyl)pyrrol-3-yl]-6-(4-fluorophenyl)pyridine is Fc1ccc(-c2cc(Cl)cc(-c3ccn(C(F)F)c3)n2)cc1.
What is the InChIKey of 4-chloro-2-[1-(difluoromethyl)pyrrol-3-yl]-6-(4-fluorophenyl)pyridine?
The InChIKey is CZBYWALBHOMHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2/c17-12-7-14(10-1-3-13(18)4-2-10)21-15(8-12)11-5-6-22(9-11)16(19)20/h1-9,16H.
What are the key properties of 4-chloro-2-[1-(difluoromethyl)pyrrol-3-yl]-6-(4-fluorophenyl)pyridine?
4-chloro-2-[1-(difluoromethyl)pyrrol-3-yl]-6-(4-fluorophenyl)pyridine has a molecular weight of 322.72 g/mol, XLogP of 5.40, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[1-(difluoromethyl)pyrrol-3-yl]-6-(4-fluorophenyl)pyridine is sourced from PubChem (CID 169043440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).