[4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol

C23H17ClF2N2O — CID 58463346

IUPAC[4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol
SMILESCn1cc(-c2ccc(Cl)cc2)c(C(O)c2cccnc2)c1-c1ccc(F)cc1F
InChIInChI=1S/C23H17ClF2N2O/c1-28-13-19(14-4-6-16(24)7-5-14)21(23(29)15-3-2-10-27-12-15)22(28)18-9-8-17(25)11-20(18)26/h2-13,23,29H,1H3
InChIKeyJZEFAUPMLBHLGQ-UHFFFAOYSA-N
MW410.85 g/mol
LogP5.77
Rot. Bonds4

About [4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol

[4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol (PubChem CID 58463346) has the molecular formula C23H17ClF2N2O and a molecular weight of 410.85 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol
PubChem CID58463346
Molecular FormulaC23H17ClF2N2O
Molecular Weight410.85 g/mol
Exact Mass410.10
IUPAC Name[4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol
SMILESCn1cc(-c2ccc(Cl)cc2)c(C(O)c2cccnc2)c1-c1ccc(F)cc1F
InChIInChI=1S/C23H17ClF2N2O/c1-28-13-19(14-4-6-16(24)7-5-14)21(23(29)15-3-2-10-27-12-15)22(28)18-9-8-17(25)11-20(18)26/h2-13,23,29H,1H3
InChIKeyJZEFAUPMLBHLGQ-UHFFFAOYSA-N
XLogP5.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.85
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(4-chlorophenyl)-1-methyl-2-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol
CID 58463428
[4-(4-chloro-2-fluorophenyl)-1-methyl-2-(3-methylphenyl)pyrrol-3-yl]-pyridin-3-ylmethanol
CID 90836295
[2-(4-fluorophenyl)-1-methyl-4-thiophen-2-ylpyrrol-3-yl]-pyridin-3-ylmethanol
CID 58463384
[4-(5-chlorothiophen-2-yl)-2-(3,5-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol
CID 58463422
[4-(4-chloro-2-fluorophenyl)-2-(4-fluorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463425
[2-[1-(4-chlorophenyl)ethyl]-4-(2,4-difluorophenyl)thiophen-3-yl]-pyridin-3-ylmethanol
CID 67438518
[4-(4-chloro-2-fluorophenyl)-2-(2,4-difluorophenyl)-5-propan-2-yl-1H-pyrrol-3-yl]-pyridin-3-ylmethanol
CID 174989842
[5-(2-chloro-4-fluorophenyl)-3-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 58463288
[2-(2-chlorophenyl)-4-(5-chlorothiophen-2-yl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol
CID 58463341
[3-[chloro(fluoro)methyl]-5-(2,4-difluorophenyl)-1,2-oxazol-4-yl]-pyridin-3-ylmethanol
CID 142794262
[3-(4-chloro-2-fluorophenyl)-5-(4-fluorophenyl)-1-methyl-2,3-dihydropyrrol-4-yl]-pyridin-3-ylmethanol
CID 70883355
[2,4-bis(4-chlorophenyl)furan-3-yl]-pyridin-3-ylmethanol
CID 58463442

Frequently Asked Questions

What is the IUPAC name of [4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol?
The IUPAC name of [4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol (CID 58463346) is [4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol.
What is the SMILES notation for [4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol?
The canonical SMILES for [4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol is Cn1cc(-c2ccc(Cl)cc2)c(C(O)c2cccnc2)c1-c1ccc(F)cc1F.
What is the InChIKey of [4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol?
The InChIKey is JZEFAUPMLBHLGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17ClF2N2O/c1-28-13-19(14-4-6-16(24)7-5-14)21(23(29)15-3-2-10-27-12-15)22(28)18-9-8-17(25)11-20(18)26/h2-13,23,29H,1H3.
What are the key properties of [4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol?
[4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol has a molecular weight of 410.85 g/mol, XLogP of 5.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-2-(2,4-difluorophenyl)-1-methylpyrrol-3-yl]-pyridin-3-ylmethanol is sourced from PubChem (CID 58463346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).