3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine

C9H9BrF2N2 — CID 86810762

IUPAC3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine
SMILESFC1(F)CCN(c2ncccc2Br)C1
InChIInChI=1S/C9H9BrF2N2/c10-7-2-1-4-13-8(7)14-5-3-9(11,12)6-14/h1-2,4H,3,5-6H2
InChIKeyDGFIDLKMKAUELB-UHFFFAOYSA-N
MW263.08 g/mol
LogP2.69
Rot. Bonds1

About 3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine

3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine (PubChem CID 86810762) has the molecular formula C9H9BrF2N2 and a molecular weight of 263.08 g/mol. Its IUPAC name is 3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine.

Molecular Properties

Compound Name3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine
PubChem CID86810762
Molecular FormulaC9H9BrF2N2
Molecular Weight263.08 g/mol
Exact Mass261.99
IUPAC Name3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine
SMILESFC1(F)CCN(c2ncccc2Br)C1
InChIInChI=1S/C9H9BrF2N2/c10-7-2-1-4-13-8(7)14-5-3-9(11,12)6-14/h1-2,4H,3,5-6H2
InChIKeyDGFIDLKMKAUELB-UHFFFAOYSA-N
XLogP2.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.08
LogP ≤ 52.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-(3-bromo-2-pyridinyl)-6-azaspiro[3.4]octane
CID 130994092
3-bromo-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 55209852
3-bromo-2-pyrrolidin-1-ylpyridine
CID 46739525
2-(3,3-difluoropyrrolidin-1-yl)-3-nitropyridine
CID 86811016
8-(3-bromo-2-pyridinyl)-1,4-dioxa-8-azaspiro[4.5]decane
CID 67246417
1-(3-bromo-2-pyridinyl)-4-hydroxypiperidine-4-carboxylic acid
CID 69227330
1-(2-bromophenyl)-3,3-difluoropyrrolidine
CID 115048930
5-(3-bromo-2-pyridinyl)-1,2,5-dithiazepane
CID 131101938
(3S)-1-(3-bromo-2-pyridinyl)-3-hydroxypiperidine-3-carboxamide
CID 129483763
[2-(4,4-difluoropiperidin-1-yl)-3-pyridinyl]methanamine
CID 68582946
1-(3-bromo-2-pyridinyl)-4-(2-methylpropyl)piperazine
CID 55116545
3-bromo-2-[3-(bromomethyl)pyrrolidin-1-yl]pyridine
CID 80679963

Frequently Asked Questions

What is the IUPAC name of 3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine?
The IUPAC name of 3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine (CID 86810762) is 3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine.
What is the SMILES notation for 3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine?
The canonical SMILES for 3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine is FC1(F)CCN(c2ncccc2Br)C1.
What is the InChIKey of 3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine?
The InChIKey is DGFIDLKMKAUELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrF2N2/c10-7-2-1-4-13-8(7)14-5-3-9(11,12)6-14/h1-2,4H,3,5-6H2.
What are the key properties of 3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine?
3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine has a molecular weight of 263.08 g/mol, XLogP of 2.69, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine is sourced from PubChem (CID 86810762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).