(6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone

C11H10BrF3N2O — CID 167713998

IUPAC(6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)c(Br)n1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H10BrF3N2O/c12-9-7(13)1-2-8(16-9)10(18)17-5-3-11(14,15)4-6-17/h1-2H,3-6H2
InChIKeyBDLDFWNUUYABQD-UHFFFAOYSA-N
MW323.11 g/mol
LogP2.85
Rot. Bonds1

About (6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone

(6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone (PubChem CID 167713998) has the molecular formula C11H10BrF3N2O and a molecular weight of 323.11 g/mol. Its IUPAC name is (6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone.

Molecular Properties

Compound Name(6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
PubChem CID167713998
Molecular FormulaC11H10BrF3N2O
Molecular Weight323.11 g/mol
Exact Mass321.99
IUPAC Name(6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone
SMILESO=C(c1ccc(F)c(Br)n1)N1CCC(F)(F)CC1
InChIInChI=1S/C11H10BrF3N2O/c12-9-7(13)1-2-8(16-9)10(18)17-5-3-11(14,15)4-6-17/h1-2H,3-6H2
InChIKeyBDLDFWNUUYABQD-UHFFFAOYSA-N
XLogP2.85
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.11
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(6-bromo-5-fluoro-2-pyridinyl)-(4-ethylpiperazin-1-yl)methanone
CID 167714000
6-(4,4-difluoropiperidine-1-carbonyl)-2-methylpyridazin-3-one
CID 121184558
4-(4,4-difluoropiperidine-1-carbonyl)-1,3-thiazole-2-carboxylic acid
CID 174900156
(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-iodophenyl)methanone
CID 58290718
2-(5-bromo-2-fluorophenyl)-1-(4,4-difluoropiperidin-1-yl)ethanone
CID 176516464
(4,4-difluoropiperidin-1-yl)-(2-fluoro-5-propan-2-ylphenyl)methanone
CID 58290377
(5-amino-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 138985813
(3-bromo-5-fluoro-4-methylphenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 176513315
(8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 154667126
(2-chloro-6-fluorophenyl)-(4,4-difluoropiperidin-1-yl)methanone
CID 139023381
(4,4-difluoropiperidin-1-yl)-(2,6-dimethyl-4-pyridinyl)methanone
CID 77094058
(4,4-difluoropiperidin-1-yl)-[5-[2-(3-fluorophenyl)ethynyl]-2-pyridinyl]methanone
CID 70789102

Frequently Asked Questions

What is the IUPAC name of (6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone?
The IUPAC name of (6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone (CID 167713998) is (6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone.
What is the SMILES notation for (6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone?
The canonical SMILES for (6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone is O=C(c1ccc(F)c(Br)n1)N1CCC(F)(F)CC1.
What is the InChIKey of (6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone?
The InChIKey is BDLDFWNUUYABQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrF3N2O/c12-9-7(13)1-2-8(16-9)10(18)17-5-3-11(14,15)4-6-17/h1-2H,3-6H2.
What are the key properties of (6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone?
(6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone has a molecular weight of 323.11 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-5-fluoro-2-pyridinyl)-(4,4-difluoropiperidin-1-yl)methanone is sourced from PubChem (CID 167713998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).