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

C15H14FNO — CID 107128400

IUPAC(3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
SMILESCCc1cccnc1C(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C15H14FNO/c1-3-11-5-4-8-17-14(11)15(18)12-7-6-10(2)13(16)9-12/h4-9H,3H2,1-2H3
InChIKeyVWCXPNKPFWTKGH-UHFFFAOYSA-N
MW243.28 g/mol
LogP3.32
Rot. Bonds3

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

(3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone (PubChem CID 107128400) has the molecular formula C15H14FNO and a molecular weight of 243.28 g/mol. Its IUPAC name is (3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
PubChem CID107128400
Molecular FormulaC15H14FNO
Molecular Weight243.28 g/mol
Exact Mass243.11
IUPAC Name(3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
SMILESCCc1cccnc1C(=O)c1ccc(C)c(F)c1
InChIInChI=1S/C15H14FNO/c1-3-11-5-4-8-17-14(11)15(18)12-7-6-10(2)13(16)9-12/h4-9H,3H2,1-2H3
InChIKeyVWCXPNKPFWTKGH-UHFFFAOYSA-N
XLogP3.32
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.28
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,5-dimethylphenyl)-(3-ethyl-2-pyridinyl)methanone
CID 82730704
(3-ethyl-2-pyridinyl)-[3-(trifluoromethyl)phenyl]methanone
CID 82730577
(3-ethyl-2-pyridinyl)-[3-(2-methylpropyl)phenyl]methanone
CID 116543464
(3-fluoro-2-pyridinyl)-naphthalen-2-ylmethanone
CID 23070163
(3-cyclopropyloxyphenyl)-(3-ethyl-2-pyridinyl)methanone
CID 114521254
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337574
acetic acid;3-ethylpyridine-2-carboxylic acid
CID 118035690
1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one
CID 82730826
ethyl 3-fluoropyridine-2-carboxylate
CID 46311381
2-(2,3-difluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 62622276
(3-ethyl-2-pyridinyl)-(furan-2-yl)methanone
CID 82729679
(3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone
CID 82730250

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of (3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone (CID 107128400) is (3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for (3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for (3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone is CCc1cccnc1C(=O)c1ccc(C)c(F)c1.
What is the InChIKey of (3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is VWCXPNKPFWTKGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FNO/c1-3-11-5-4-8-17-14(11)15(18)12-7-6-10(2)13(16)9-12/h4-9H,3H2,1-2H3.
What are the key properties of (3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone?
(3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 243.28 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 107128400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).