(3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone

C14H12FNO — CID 115374080

IUPAC(3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)c2cc(C)cc(F)c2)c1
InChIInChI=1S/C14H12FNO/c1-9-3-11(6-13(15)5-9)14(17)12-4-10(2)7-16-8-12/h3-8H,1-2H3
InChIKeyIWJWKCSKAYEQBI-UHFFFAOYSA-N
MW229.25 g/mol
LogP3.07
Rot. Bonds2

About (3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone

(3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone (PubChem CID 115374080) has the molecular formula C14H12FNO and a molecular weight of 229.25 g/mol. Its IUPAC name is (3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone
PubChem CID115374080
Molecular FormulaC14H12FNO
Molecular Weight229.25 g/mol
Exact Mass229.09
IUPAC Name(3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone
SMILESCc1cncc(C(=O)c2cc(C)cc(F)c2)c1
InChIInChI=1S/C14H12FNO/c1-9-3-11(6-13(15)5-9)14(17)12-4-10(2)7-16-8-12/h3-8H,1-2H3
InChIKeyIWJWKCSKAYEQBI-UHFFFAOYSA-N
XLogP3.07
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.25
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluoro-4-methylphenyl)-(5-methyl-3-pyridinyl)methanone
CID 115373910
(3-fluoro-5-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 79704305
(2-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 115373956
(2-amino-5-fluorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 82685315
(3-bromo-5-chlorophenyl)-(5-methyl-3-pyridinyl)methanone
CID 107944693
(5-methyl-3-pyridinyl)-pyrimidin-2-ylmethanone
CID 115373915
(4-bromophenyl)-(3-fluoro-5-methylphenyl)methanone
CID 24723251
(5-methyl-3-pyridinyl)-(4-phenylphenyl)methanone
CID 105103449
(5-methyl-3-pyridinyl)-(4-propan-2-ylphenyl)methanone
CID 113297046
bis(3,5-difluorophenyl)methanone
CID 2760569
bis(3,5-dimethylphenyl)methanone
CID 15640171
(5-methyl-3-pyridinyl)-[4-(trifluoromethoxy)phenyl]methanone
CID 115791642

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone?
The IUPAC name of (3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone (CID 115374080) is (3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone?
The canonical SMILES for (3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone is Cc1cncc(C(=O)c2cc(C)cc(F)c2)c1.
What is the InChIKey of (3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone?
The InChIKey is IWJWKCSKAYEQBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO/c1-9-3-11(6-13(15)5-9)14(17)12-4-10(2)7-16-8-12/h3-8H,1-2H3.
What are the key properties of (3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone?
(3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone has a molecular weight of 229.25 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-5-methylphenyl)-(5-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 115374080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).