(4-fluoro-3-methylphenyl)-[6-(hydroxymethyl)-3-pyridinyl]methanone

C14H12FNO2 — CID 59627490

IUPAC(4-fluoro-3-methylphenyl)-[6-(hydroxymethyl)-3-pyridinyl]methanone
SMILESCc1cc(C(=O)c2ccc(CO)nc2)ccc1F
InChIInChI=1S/C14H12FNO2/c1-9-6-10(3-5-13(9)15)14(18)11-2-4-12(8-17)16-7-11/h2-7,17H,8H2,1H3
InChIKeyXKYAXEFJZQZNBP-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.25
Rot. Bonds3

About (4-fluoro-3-methylphenyl)-[6-(hydroxymethyl)-3-pyridinyl]methanone

(4-fluoro-3-methylphenyl)-[6-(hydroxymethyl)-3-pyridinyl]methanone (PubChem CID 59627490) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-[6-(hydroxymethyl)-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-[6-(hydroxymethyl)-3-pyridinyl]methanone
PubChem CID59627490
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name(4-fluoro-3-methylphenyl)-[6-(hydroxymethyl)-3-pyridinyl]methanone
SMILESCc1cc(C(=O)c2ccc(CO)nc2)ccc1F
InChIInChI=1S/C14H12FNO2/c1-9-6-10(3-5-13(9)15)14(18)11-2-4-12(8-17)16-7-11/h2-7,17H,8H2,1H3
InChIKeyXKYAXEFJZQZNBP-UHFFFAOYSA-N
XLogP2.25
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone
CID 62789749
(4-fluoro-3-methylphenyl)-(4-hydroxyphenyl)methanone
CID 82081761
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone
CID 116605281
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66245563
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
[6-(dimethylamino)-3-pyridinyl]-(3,4-dimethylphenyl)methanone
CID 114273237
(3-bromo-4-propoxyphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 104657035
[2-(aminomethyl)-1,3-thiazol-4-yl]-(4-fluoro-3-methylphenyl)methanone
CID 116585268
(4-fluoro-3-methylphenyl)-(5-iodothiophen-3-yl)methanone
CID 79735419
3-bromo-1-(4-fluoro-3-methylphenyl)propane-1,2-dione
CID 82132574

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-[6-(hydroxymethyl)-3-pyridinyl]methanone?
The IUPAC name of (4-fluoro-3-methylphenyl)-[6-(hydroxymethyl)-3-pyridinyl]methanone (CID 59627490) is (4-fluoro-3-methylphenyl)-[6-(hydroxymethyl)-3-pyridinyl]methanone.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-[6-(hydroxymethyl)-3-pyridinyl]methanone?
The canonical SMILES for (4-fluoro-3-methylphenyl)-[6-(hydroxymethyl)-3-pyridinyl]methanone is Cc1cc(C(=O)c2ccc(CO)nc2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-[6-(hydroxymethyl)-3-pyridinyl]methanone?
The InChIKey is XKYAXEFJZQZNBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-9-6-10(3-5-13(9)15)14(18)11-2-4-12(8-17)16-7-11/h2-7,17H,8H2,1H3.
What are the key properties of (4-fluoro-3-methylphenyl)-[6-(hydroxymethyl)-3-pyridinyl]methanone?
(4-fluoro-3-methylphenyl)-[6-(hydroxymethyl)-3-pyridinyl]methanone has a molecular weight of 245.25 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-[6-(hydroxymethyl)-3-pyridinyl]methanone is sourced from PubChem (CID 59627490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).