(2,5-dimethyl-4-pyridinyl)-phenylmethanone

C14H13NO — CID 12954070

IUPAC(2,5-dimethyl-4-pyridinyl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)c(C)cn1
InChIInChI=1S/C14H13NO/c1-10-9-15-11(2)8-13(10)14(16)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyMICXARLNSHFBSX-UHFFFAOYSA-N
MW211.26 g/mol
LogP2.93
Rot. Bonds2

About (2,5-dimethyl-4-pyridinyl)-phenylmethanone

(2,5-dimethyl-4-pyridinyl)-phenylmethanone (PubChem CID 12954070) has the molecular formula C14H13NO and a molecular weight of 211.26 g/mol. Its IUPAC name is (2,5-dimethyl-4-pyridinyl)-phenylmethanone.

Molecular Properties

Compound Name(2,5-dimethyl-4-pyridinyl)-phenylmethanone
PubChem CID12954070
Molecular FormulaC14H13NO
Molecular Weight211.26 g/mol
Exact Mass211.10
IUPAC Name(2,5-dimethyl-4-pyridinyl)-phenylmethanone
SMILESCc1cc(C(=O)c2ccccc2)c(C)cn1
InChIInChI=1S/C14H13NO/c1-10-9-15-11(2)8-13(10)14(16)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyMICXARLNSHFBSX-UHFFFAOYSA-N
XLogP2.93
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(5-benzoyl-2,6-dimethyl-3-pyridinyl)-phenylmethanone
CID 827958
(2-methyl-4-pyridinyl)-phenylmethanone
CID 12913274
(4-hydroxy-2,5-dimethylphenyl)-phenylmethanone
CID 19026877
2,5-dimethylpyridine-4-carbonyl chloride;hydrochloride
CID 88694189
N-[(2,5-dimethyl-4-pyridinyl)carbamothioyl]benzamide
CID 163254012
(2-amino-3,5-dimethylphenyl)-phenylmethanone
CID 70126178
ethane;phenyl-(2,4,6-trimethylphenyl)methanone
CID 90795600
[4-methyl-6-(N-methylanilino)-3-pyridinyl]-phenylmethanone
CID 102545394
(4-ethoxy-2,5-dimethylphenyl)-phenylmethanone
CID 82628812
[3-(2,5-dimethylbenzoyl)phenyl]-phenylmethanone
CID 90191697
[2-(dimethylamino)phenyl]-phenylmethanone;1,3,5-trimethylbenzene
CID 175307989
(6-bromo-5-methyl-3-pyridinyl)-phenylmethanone
CID 102544486

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-4-pyridinyl)-phenylmethanone?
The IUPAC name of (2,5-dimethyl-4-pyridinyl)-phenylmethanone (CID 12954070) is (2,5-dimethyl-4-pyridinyl)-phenylmethanone.
What is the SMILES notation for (2,5-dimethyl-4-pyridinyl)-phenylmethanone?
The canonical SMILES for (2,5-dimethyl-4-pyridinyl)-phenylmethanone is Cc1cc(C(=O)c2ccccc2)c(C)cn1.
What is the InChIKey of (2,5-dimethyl-4-pyridinyl)-phenylmethanone?
The InChIKey is MICXARLNSHFBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO/c1-10-9-15-11(2)8-13(10)14(16)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of (2,5-dimethyl-4-pyridinyl)-phenylmethanone?
(2,5-dimethyl-4-pyridinyl)-phenylmethanone has a molecular weight of 211.26 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-4-pyridinyl)-phenylmethanone is sourced from PubChem (CID 12954070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).