(2,6-difluoro-3-methylphenyl)-(4,6-dimethyl-2-pyridinyl)methanone

C15H13F2NO — CID 114269282

IUPAC(2,6-difluoro-3-methylphenyl)-(4,6-dimethyl-2-pyridinyl)methanone
SMILESCc1cc(C)nc(C(=O)c2c(F)ccc(C)c2F)c1
InChIInChI=1S/C15H13F2NO/c1-8-6-10(3)18-12(7-8)15(19)13-11(16)5-4-9(2)14(13)17/h4-7H,1-3H3
InChIKeyIAWLVWNYKYJQPK-UHFFFAOYSA-N
MW261.27 g/mol
LogP3.52
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(4,6-dimethyl-2-pyridinyl)methanone

(2,6-difluoro-3-methylphenyl)-(4,6-dimethyl-2-pyridinyl)methanone (PubChem CID 114269282) has the molecular formula C15H13F2NO and a molecular weight of 261.27 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(4,6-dimethyl-2-pyridinyl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(4,6-dimethyl-2-pyridinyl)methanone
PubChem CID114269282
Molecular FormulaC15H13F2NO
Molecular Weight261.27 g/mol
Exact Mass261.10
IUPAC Name(2,6-difluoro-3-methylphenyl)-(4,6-dimethyl-2-pyridinyl)methanone
SMILESCc1cc(C)nc(C(=O)c2c(F)ccc(C)c2F)c1
InChIInChI=1S/C15H13F2NO/c1-8-6-10(3)18-12(7-8)15(19)13-11(16)5-4-9(2)14(13)17/h4-7H,1-3H3
InChIKeyIAWLVWNYKYJQPK-UHFFFAOYSA-N
XLogP3.52
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.27
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
CID 82819637
(2,6-difluoro-3-methylphenyl)-pyrazin-2-ylmethanone
CID 82820337
(3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 116548682
(2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115794313
(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044009
(4-tert-butylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82798017
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115794368
1-(4,6-dimethyl-2-pyridinyl)propan-1-one
CID 20718452
methyl 2,6-difluoro-3-methylbenzoate
CID 55255639
(2,6-difluoro-3-methylphenyl)-(2-methylthiophen-3-yl)methanone
CID 102840121
1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone
CID 114963999

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(4,6-dimethyl-2-pyridinyl)methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(4,6-dimethyl-2-pyridinyl)methanone (CID 114269282) is (2,6-difluoro-3-methylphenyl)-(4,6-dimethyl-2-pyridinyl)methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(4,6-dimethyl-2-pyridinyl)methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(4,6-dimethyl-2-pyridinyl)methanone is Cc1cc(C)nc(C(=O)c2c(F)ccc(C)c2F)c1.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(4,6-dimethyl-2-pyridinyl)methanone?
The InChIKey is IAWLVWNYKYJQPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO/c1-8-6-10(3)18-12(7-8)15(19)13-11(16)5-4-9(2)14(13)17/h4-7H,1-3H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(4,6-dimethyl-2-pyridinyl)methanone?
(2,6-difluoro-3-methylphenyl)-(4,6-dimethyl-2-pyridinyl)methanone has a molecular weight of 261.27 g/mol, XLogP of 3.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(4,6-dimethyl-2-pyridinyl)methanone is sourced from PubChem (CID 114269282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).