(4-fluoro-2-methylphenyl)-(3-methoxy-4-pyridinyl)methanone

C14H12FNO2 — CID 105064925

IUPAC(4-fluoro-2-methylphenyl)-(3-methoxy-4-pyridinyl)methanone
SMILESCOc1cnccc1C(=O)c1ccc(F)cc1C
InChIInChI=1S/C14H12FNO2/c1-9-7-10(15)3-4-11(9)14(17)12-5-6-16-8-13(12)18-2/h3-8H,1-2H3
InChIKeyVPKSGPQZYVQZPI-UHFFFAOYSA-N
MW245.25 g/mol
LogP2.77
Rot. Bonds3

About (4-fluoro-2-methylphenyl)-(3-methoxy-4-pyridinyl)methanone

(4-fluoro-2-methylphenyl)-(3-methoxy-4-pyridinyl)methanone (PubChem CID 105064925) has the molecular formula C14H12FNO2 and a molecular weight of 245.25 g/mol. Its IUPAC name is (4-fluoro-2-methylphenyl)-(3-methoxy-4-pyridinyl)methanone.

Molecular Properties

Compound Name(4-fluoro-2-methylphenyl)-(3-methoxy-4-pyridinyl)methanone
PubChem CID105064925
Molecular FormulaC14H12FNO2
Molecular Weight245.25 g/mol
Exact Mass245.09
IUPAC Name(4-fluoro-2-methylphenyl)-(3-methoxy-4-pyridinyl)methanone
SMILESCOc1cnccc1C(=O)c1ccc(F)cc1C
InChIInChI=1S/C14H12FNO2/c1-9-7-10(15)3-4-11(9)14(17)12-5-6-16-8-13(12)18-2/h3-8H,1-2H3
InChIKeyVPKSGPQZYVQZPI-UHFFFAOYSA-N
XLogP2.77
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.25
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,5-dimethylphenyl)-(3-methoxy-4-pyridinyl)methanone
CID 105064875
(3-chloro-4-pyridinyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 105125231
(4-fluoro-2-methylphenyl)-(2,4,5-trimethylphenyl)methanone
CID 81273528
(5-chloro-2-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 81274056
(2-chloro-4-methoxyphenyl)-(4-fluoro-2-methylphenyl)methanone
CID 113399945
(4-bromo-2-methylphenyl)-(5-fluoro-2-methoxyphenyl)methanone
CID 43629665
(2-chloro-4-fluorophenyl)-(2-methoxyphenyl)methanone
CID 62946338
(2-chloro-4-fluorophenyl)-(4-chloro-2-methylphenyl)methanone
CID 146005847
2-(2-fluoro-3-methoxyphenyl)-1-(3-methoxy-4-pyridinyl)ethanone
CID 105065080
(4-fluoro-2-methylphenyl)-(2-propoxyphenyl)methanone
CID 104659409
(2-chloro-4,5-dimethoxyphenyl)-(2-chloro-4-fluorophenyl)methanone
CID 43162222
1-(4-fluoro-2-methylphenyl)-2-(2-methoxyphenyl)ethanone
CID 62790793

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-2-methylphenyl)-(3-methoxy-4-pyridinyl)methanone?
The IUPAC name of (4-fluoro-2-methylphenyl)-(3-methoxy-4-pyridinyl)methanone (CID 105064925) is (4-fluoro-2-methylphenyl)-(3-methoxy-4-pyridinyl)methanone.
What is the SMILES notation for (4-fluoro-2-methylphenyl)-(3-methoxy-4-pyridinyl)methanone?
The canonical SMILES for (4-fluoro-2-methylphenyl)-(3-methoxy-4-pyridinyl)methanone is COc1cnccc1C(=O)c1ccc(F)cc1C.
What is the InChIKey of (4-fluoro-2-methylphenyl)-(3-methoxy-4-pyridinyl)methanone?
The InChIKey is VPKSGPQZYVQZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO2/c1-9-7-10(15)3-4-11(9)14(17)12-5-6-16-8-13(12)18-2/h3-8H,1-2H3.
What are the key properties of (4-fluoro-2-methylphenyl)-(3-methoxy-4-pyridinyl)methanone?
(4-fluoro-2-methylphenyl)-(3-methoxy-4-pyridinyl)methanone has a molecular weight of 245.25 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-2-methylphenyl)-(3-methoxy-4-pyridinyl)methanone is sourced from PubChem (CID 105064925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).