(4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone

C13H10FNO — CID 62789749

IUPAC(4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone
SMILESCc1cc(C(=O)c2ccncc2)ccc1F
InChIInChI=1S/C13H10FNO/c1-9-8-11(2-3-12(9)14)13(16)10-4-6-15-7-5-10/h2-8H,1H3
InChIKeyXGKPZMPQEKHDOK-UHFFFAOYSA-N
MW215.23 g/mol
LogP2.76
Rot. Bonds2

About (4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone

(4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone (PubChem CID 62789749) has the molecular formula C13H10FNO and a molecular weight of 215.23 g/mol. Its IUPAC name is (4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone.

Molecular Properties

Compound Name(4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone
PubChem CID62789749
Molecular FormulaC13H10FNO
Molecular Weight215.23 g/mol
Exact Mass215.07
IUPAC Name(4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone
SMILESCc1cc(C(=O)c2ccncc2)ccc1F
InChIInChI=1S/C13H10FNO/c1-9-8-11(2-3-12(9)14)13(16)10-4-6-15-7-5-10/h2-8H,1H3
InChIKeyXGKPZMPQEKHDOK-UHFFFAOYSA-N
XLogP2.76
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.23
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-fluoro-3-methylphenyl)-(4-hydroxyphenyl)methanone
CID 82081761
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707550
N-(4-fluoro-3-methylphenyl)pyridine-4-carboxamide;hydrochloride
CID 110776367
(4-fluoro-3-methylphenyl)-[4-(2-methylbutan-2-yl)phenyl]methanone
CID 66245563
(4-fluoro-3-methylphenyl)-(2-methylpyrazol-3-yl)methanone
CID 63960955
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
(2,5-difluorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 62802416
(4-fluoro-3-methylphenyl)-[6-(hydroxymethyl)-3-pyridinyl]methanone
CID 59627490
(4-fluoro-3-methylphenyl)-(5-iodothiophen-3-yl)methanone
CID 79735419
(5-amino-2-pyridinyl)-(4-fluoro-3-methylphenyl)methanone
CID 116605281
(4,5-dimethoxy-2-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 63209380

Frequently Asked Questions

What is the IUPAC name of (4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone?
The IUPAC name of (4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone (CID 62789749) is (4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone.
What is the SMILES notation for (4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone?
The canonical SMILES for (4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone is Cc1cc(C(=O)c2ccncc2)ccc1F.
What is the InChIKey of (4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone?
The InChIKey is XGKPZMPQEKHDOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FNO/c1-9-8-11(2-3-12(9)14)13(16)10-4-6-15-7-5-10/h2-8H,1H3.
What are the key properties of (4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone?
(4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone has a molecular weight of 215.23 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluoro-3-methylphenyl)-pyridin-4-ylmethanone is sourced from PubChem (CID 62789749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).