(5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone

C13H10FNO2 — CID 59627441

IUPAC(5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone
SMILESO=C(c1ccc(CO)cc1)c1ccc(F)cn1
InChIInChI=1S/C13H10FNO2/c14-11-5-6-12(15-7-11)13(17)10-3-1-9(8-16)2-4-10/h1-7,16H,8H2
InChIKeyBZLATBKVBMHDRJ-UHFFFAOYSA-N
MW231.23 g/mol
LogP1.94
Rot. Bonds3

About (5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone

(5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone (PubChem CID 59627441) has the molecular formula C13H10FNO2 and a molecular weight of 231.23 g/mol. Its IUPAC name is (5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone.

Molecular Properties

Compound Name(5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone
PubChem CID59627441
Molecular FormulaC13H10FNO2
Molecular Weight231.23 g/mol
Exact Mass231.07
IUPAC Name(5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone
SMILESO=C(c1ccc(CO)cc1)c1ccc(F)cn1
InChIInChI=1S/C13H10FNO2/c14-11-5-6-12(15-7-11)13(17)10-3-1-9(8-16)2-4-10/h1-7,16H,8H2
InChIKeyBZLATBKVBMHDRJ-UHFFFAOYSA-N
XLogP1.94
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.23
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone?
The IUPAC name of (5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone (CID 59627441) is (5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone.
What is the SMILES notation for (5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone?
The canonical SMILES for (5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone is O=C(c1ccc(CO)cc1)c1ccc(F)cn1.
What is the InChIKey of (5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone?
The InChIKey is BZLATBKVBMHDRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO2/c14-11-5-6-12(15-7-11)13(17)10-3-1-9(8-16)2-4-10/h1-7,16H,8H2.
What are the key properties of (5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone?
(5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone has a molecular weight of 231.23 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-2-pyridinyl)-[4-(hydroxymethyl)phenyl]methanone is sourced from PubChem (CID 59627441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).