(3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone

C12H9FN2O — CID 106754774

IUPAC(3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)c2ccncc2F)ccn1
InChIInChI=1S/C12H9FN2O/c1-8-6-9(2-5-15-8)12(16)10-3-4-14-7-11(10)13/h2-7H,1H3
InChIKeyMIZFTBZEKGUKBW-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.16
Rot. Bonds2

About (3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone

(3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone (PubChem CID 106754774) has the molecular formula C12H9FN2O and a molecular weight of 216.22 g/mol. Its IUPAC name is (3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name(3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone
PubChem CID106754774
Molecular FormulaC12H9FN2O
Molecular Weight216.22 g/mol
Exact Mass216.07
IUPAC Name(3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone
SMILESCc1cc(C(=O)c2ccncc2F)ccn1
InChIInChI=1S/C12H9FN2O/c1-8-6-9(2-5-15-8)12(16)10-3-4-14-7-11(10)13/h2-7H,1H3
InChIKeyMIZFTBZEKGUKBW-UHFFFAOYSA-N
XLogP2.16
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2-methyl-4-pyridinyl)-pyridin-3-ylmethanone
CID 106754556
(2,5-dimethylpyrazol-3-yl)-(3-fluoro-4-pyridinyl)methanone
CID 105129319
(2-ethoxy-3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone
CID 114270645
(5-bromofuran-3-yl)-(3-fluoro-4-pyridinyl)methanone
CID 130643801
(2-methyl-4-pyridinyl)-phenylmethanone
CID 12913274
(3-fluoro-4-pyridinyl)-(2-methyl-1,2,4-triazol-3-yl)methanone
CID 130529576
N,2-dimethylpyridine-4-carboxamide;ethane
CID 143416894
3-fluoro-N,N-dimethylpyridine-4-carboxamide
CID 64950687
1-(3-fluoro-4-pyridinyl)-2-hydroxy-3-methylbutan-1-one
CID 103455294
[2-(aminomethyl)-4-pyridinyl]-(4-methyl-3-pyridinyl)methanone
CID 116601966
2-[[(3-fluoropyridine-4-carbonyl)amino]methyl]pyridine-4-carboxylic acid
CID 114324148
(4-fluoro-3-methylphenyl)-[4-(trifluoromethyl)-3-pyridinyl]methanone
CID 102707550

Frequently Asked Questions

What is the IUPAC name of (3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone?
The IUPAC name of (3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone (CID 106754774) is (3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone.
What is the SMILES notation for (3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone?
The canonical SMILES for (3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone is Cc1cc(C(=O)c2ccncc2F)ccn1.
What is the InChIKey of (3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone?
The InChIKey is MIZFTBZEKGUKBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FN2O/c1-8-6-9(2-5-15-8)12(16)10-3-4-14-7-11(10)13/h2-7H,1H3.
What are the key properties of (3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone?
(3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone has a molecular weight of 216.22 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluoro-4-pyridinyl)-(2-methyl-4-pyridinyl)methanone is sourced from PubChem (CID 106754774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).