[1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrrol-2-yl]-pyridin-3-ylmethanol

C22H16ClFN2O — CID 90710853

IUPAC[1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrrol-2-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccccc2F)ccn1-c1cccc(Cl)c1
InChIInChI=1S/C22H16ClFN2O/c23-16-6-3-7-17(13-16)26-12-10-19(18-8-1-2-9-20(18)24)21(26)22(27)15-5-4-11-25-14-15/h1-14,22,27H
InChIKeyGHLJKQUSQBFZBM-UHFFFAOYSA-N
MW378.83 g/mol
LogP5.41
Rot. Bonds4

About [1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrrol-2-yl]-pyridin-3-ylmethanol

[1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrrol-2-yl]-pyridin-3-ylmethanol (PubChem CID 90710853) has the molecular formula C22H16ClFN2O and a molecular weight of 378.83 g/mol. Its IUPAC name is [1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrrol-2-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrrol-2-yl]-pyridin-3-ylmethanol
PubChem CID90710853
Molecular FormulaC22H16ClFN2O
Molecular Weight378.83 g/mol
Exact Mass378.09
IUPAC Name[1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrrol-2-yl]-pyridin-3-ylmethanol
SMILESOC(c1cccnc1)c1c(-c2ccccc2F)ccn1-c1cccc(Cl)c1
InChIInChI=1S/C22H16ClFN2O/c23-16-6-3-7-17(13-16)26-12-10-19(18-8-1-2-9-20(18)24)21(26)22(27)15-5-4-11-25-14-15/h1-14,22,27H
InChIKeyGHLJKQUSQBFZBM-UHFFFAOYSA-N
XLogP5.41
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.83
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrrol-2-yl]-pyridin-3-ylmethanol?
The IUPAC name of [1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrrol-2-yl]-pyridin-3-ylmethanol (CID 90710853) is [1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrrol-2-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrrol-2-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrrol-2-yl]-pyridin-3-ylmethanol is OC(c1cccnc1)c1c(-c2ccccc2F)ccn1-c1cccc(Cl)c1.
What is the InChIKey of [1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrrol-2-yl]-pyridin-3-ylmethanol?
The InChIKey is GHLJKQUSQBFZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O/c23-16-6-3-7-17(13-16)26-12-10-19(18-8-1-2-9-20(18)24)21(26)22(27)15-5-4-11-25-14-15/h1-14,22,27H.
What are the key properties of [1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrrol-2-yl]-pyridin-3-ylmethanol?
[1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrrol-2-yl]-pyridin-3-ylmethanol has a molecular weight of 378.83 g/mol, XLogP of 5.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrrol-2-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 90710853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).