(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone

C12H13F3N2O — CID 168987947

IUPAC(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone
SMILESCc1ncc(C(=O)N2CCC(F)(F)CC2)cc1F
InChIInChI=1S/C12H13F3N2O/c1-8-10(13)6-9(7-16-8)11(18)17-4-2-12(14,15)3-5-17/h6-7H,2-5H2,1H3
InChIKeyOLUXFVQGHVTSGQ-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.40
Rot. Bonds1

About (4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone

(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone (PubChem CID 168987947) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is (4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone.

Molecular Properties

Compound Name(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone
PubChem CID168987947
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone
SMILESCc1ncc(C(=O)N2CCC(F)(F)CC2)cc1F
InChIInChI=1S/C12H13F3N2O/c1-8-10(13)6-9(7-16-8)11(18)17-4-2-12(14,15)3-5-17/h6-7H,2-5H2,1H3
InChIKeyOLUXFVQGHVTSGQ-UHFFFAOYSA-N
XLogP2.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-bromo-5-fluoro-4-methylphenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 176513315
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058
(2-tert-butyl-4-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 155245200
(8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 154667126
(4,4-difluoropiperidin-1-yl)-[1-(6-methyl-3-pyridinyl)pyrrolo[2,3-b]pyridin-5-yl]methanone;ethane
CID 156811391
(4,4-difluoropiperidin-1-yl)-[2-methyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3-pyridinyl]methanone
CID 168678134
4-[6-(4,4-difluoropiperidine-1-carbonyl)triazolo[4,5-b]pyridin-3-yl]benzoic acid
CID 156811179
(4,4-difluoropiperidin-1-yl)-(4-methylidene-2,3-dihydropyrano[3,2-b]pyridin-7-yl)methanone
CID 172632426
methyl 4-[[3-acetamido-5-(4,4-difluoropiperidine-1-carbonyl)-2-pyridinyl]amino]benzoate
CID 167448406
6-(4,4-difluoropiperidin-1-yl)-5-fluoropyridine-3-carbohydrazide
CID 162444317
[3-(3,3-difluoropyrrolidine-1-carbonyl)quinolin-8-yl]boronic acid
CID 174048232
(4,4-difluoropiperidin-1-yl)-(5-methyl-1,2-oxazol-4-yl)methanone
CID 121184594

Frequently Asked Questions

What is the IUPAC name of (4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone?
The IUPAC name of (4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone (CID 168987947) is (4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone.
What is the SMILES notation for (4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone?
The canonical SMILES for (4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone is Cc1ncc(C(=O)N2CCC(F)(F)CC2)cc1F.
What is the InChIKey of (4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone?
The InChIKey is OLUXFVQGHVTSGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c1-8-10(13)6-9(7-16-8)11(18)17-4-2-12(14,15)3-5-17/h6-7H,2-5H2,1H3.
What are the key properties of (4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone?
(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone has a molecular weight of 258.24 g/mol, XLogP of 2.40, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone is sourced from PubChem (CID 168987947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).