[2-cyclopropyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol

C22H20FNO — CID 15099515

IUPAC[2-cyclopropyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol
SMILESCc1c(-c2ccccc2)nc(C2CC2)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C22H20FNO/c1-14-20(15-9-11-18(23)12-10-15)19(13-25)22(17-7-8-17)24-21(14)16-5-3-2-4-6-16/h2-6,9-12,17,25H,7-8,13H2,1H3
InChIKeyPFZBYAAUPQFRDB-UHFFFAOYSA-N
MW333.41 g/mol
LogP5.23
Rot. Bonds4

About [2-cyclopropyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol

[2-cyclopropyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol (PubChem CID 15099515) has the molecular formula C22H20FNO and a molecular weight of 333.41 g/mol. Its IUPAC name is [2-cyclopropyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-cyclopropyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol
PubChem CID15099515
Molecular FormulaC22H20FNO
Molecular Weight333.41 g/mol
Exact Mass333.15
IUPAC Name[2-cyclopropyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol
SMILESCc1c(-c2ccccc2)nc(C2CC2)c(CO)c1-c1ccc(F)cc1
InChIInChI=1S/C22H20FNO/c1-14-20(15-9-11-18(23)12-10-15)19(13-25)22(17-7-8-17)24-21(14)16-5-3-2-4-6-16/h2-6,9-12,17,25H,7-8,13H2,1H3
InChIKeyPFZBYAAUPQFRDB-UHFFFAOYSA-N
XLogP5.23
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.41
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [2-cyclopropyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol?
The IUPAC name of [2-cyclopropyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol (CID 15099515) is [2-cyclopropyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol.
What is the SMILES notation for [2-cyclopropyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol?
The canonical SMILES for [2-cyclopropyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol is Cc1c(-c2ccccc2)nc(C2CC2)c(CO)c1-c1ccc(F)cc1.
What is the InChIKey of [2-cyclopropyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol?
The InChIKey is PFZBYAAUPQFRDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FNO/c1-14-20(15-9-11-18(23)12-10-15)19(13-25)22(17-7-8-17)24-21(14)16-5-3-2-4-6-16/h2-6,9-12,17,25H,7-8,13H2,1H3.
What are the key properties of [2-cyclopropyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol?
[2-cyclopropyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol has a molecular weight of 333.41 g/mol, XLogP of 5.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-cyclopropyl-4-(4-fluorophenyl)-5-methyl-6-phenyl-3-pyridinyl]methanol is sourced from PubChem (CID 15099515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).