[5-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol

C13H12FNO — CID 18709463

IUPAC[5-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol
SMILESOCc1cncc(Cc2cccc(F)c2)c1
InChIInChI=1S/C13H12FNO/c14-13-3-1-2-10(6-13)4-11-5-12(9-16)8-15-7-11/h1-3,5-8,16H,4,9H2
InChIKeyHCUBITLVVCWEBN-UHFFFAOYSA-N
MW217.24 g/mol
LogP2.30
Rot. Bonds3

About [5-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol

[5-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol (PubChem CID 18709463) has the molecular formula C13H12FNO and a molecular weight of 217.24 g/mol. Its IUPAC name is [5-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol
PubChem CID18709463
Molecular FormulaC13H12FNO
Molecular Weight217.24 g/mol
Exact Mass217.09
IUPAC Name[5-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol
SMILESOCc1cncc(Cc2cccc(F)c2)c1
InChIInChI=1S/C13H12FNO/c14-13-3-1-2-10(6-13)4-11-5-12(9-16)8-15-7-11/h1-3,5-8,16H,4,9H2
InChIKeyHCUBITLVVCWEBN-UHFFFAOYSA-N
XLogP2.30
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol?
The IUPAC name of [5-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol (CID 18709463) is [5-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol.
What is the SMILES notation for [5-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol?
The canonical SMILES for [5-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol is OCc1cncc(Cc2cccc(F)c2)c1.
What is the InChIKey of [5-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol?
The InChIKey is HCUBITLVVCWEBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12FNO/c14-13-3-1-2-10(6-13)4-11-5-12(9-16)8-15-7-11/h1-3,5-8,16H,4,9H2.
What are the key properties of [5-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol?
[5-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol has a molecular weight of 217.24 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(3-fluorophenyl)methyl]-3-pyridinyl]methanol is sourced from PubChem (CID 18709463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).