(3-bromo-5-methyl-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone

C11H11BrF2N2O — CID 168679949

IUPAC(3-bromo-5-methyl-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(F)(F)C2)c(Br)c1
InChIInChI=1S/C11H11BrF2N2O/c1-7-4-8(12)9(15-5-7)10(17)16-3-2-11(13,14)6-16/h4-5H,2-3,6H2,1H3
InChIKeyUFFOYICIHLOVGR-UHFFFAOYSA-N
MW305.12 g/mol
LogP2.63
Rot. Bonds1

About (3-bromo-5-methyl-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone

(3-bromo-5-methyl-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone (PubChem CID 168679949) has the molecular formula C11H11BrF2N2O and a molecular weight of 305.12 g/mol. Its IUPAC name is (3-bromo-5-methyl-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name(3-bromo-5-methyl-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone
PubChem CID168679949
Molecular FormulaC11H11BrF2N2O
Molecular Weight305.12 g/mol
Exact Mass304.00
IUPAC Name(3-bromo-5-methyl-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone
SMILESCc1cnc(C(=O)N2CCC(F)(F)C2)c(Br)c1
InChIInChI=1S/C11H11BrF2N2O/c1-7-4-8(12)9(15-5-7)10(17)16-3-2-11(13,14)6-16/h4-5H,2-3,6H2,1H3
InChIKeyUFFOYICIHLOVGR-UHFFFAOYSA-N
XLogP2.63
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3,5-dibromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 155289431
(3-bromo-4-methylsulfonylphenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 175686516
(2-bromo-5-methoxyphenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 172648171
(4-amino-2-bromophenyl)-(3,3-difluoropyrrolidin-1-yl)methanone
CID 155490138
(4,4-difluoropiperidin-1-yl)-(5-fluoro-6-methyl-3-pyridinyl)methanone
CID 168987947
(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
[3-(3,3-difluoropyrrolidine-1-carbonyl)quinolin-8-yl]boronic acid
CID 174048232
(3-hydroxy-5-methyl-2-pyridinyl)-[4-hydroxy-4-(trifluoromethyl)azepan-1-yl]methanone
CID 146087309
(8-bromoquinolin-3-yl)-(4,4-difluoropiperidin-1-yl)methanone
CID 154667126
N-(4-bromo-5-fluoro-2-methylphenyl)-3,3-difluoropyrrolidine-1-carboxamide
CID 171916601
[3-(2-bromophenyl)phenyl]-(3,3-difluoropyrrolidin-1-yl)methanone
CID 170459978

Frequently Asked Questions

What is the IUPAC name of (3-bromo-5-methyl-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The IUPAC name of (3-bromo-5-methyl-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone (CID 168679949) is (3-bromo-5-methyl-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for (3-bromo-5-methyl-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The canonical SMILES for (3-bromo-5-methyl-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone is Cc1cnc(C(=O)N2CCC(F)(F)C2)c(Br)c1.
What is the InChIKey of (3-bromo-5-methyl-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
The InChIKey is UFFOYICIHLOVGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrF2N2O/c1-7-4-8(12)9(15-5-7)10(17)16-3-2-11(13,14)6-16/h4-5H,2-3,6H2,1H3.
What are the key properties of (3-bromo-5-methyl-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone?
(3-bromo-5-methyl-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone has a molecular weight of 305.12 g/mol, XLogP of 2.63, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-5-methyl-2-pyridinyl)-(3,3-difluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 168679949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).