5-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine

C10H10BrF3N2 — CID 162745549

IUPAC5-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
SMILESFC(F)(F)C1CCN(c2ccc(Br)cn2)C1
InChIInChI=1S/C10H10BrF3N2/c11-8-1-2-9(15-5-8)16-4-3-7(6-16)10(12,13)14/h1-2,5,7H,3-4,6H2
InChIKeyQONRWWCMAQKCJQ-UHFFFAOYSA-N
MW295.10 g/mol
LogP3.23
Rot. Bonds1

About 5-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine

5-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine (PubChem CID 162745549) has the molecular formula C10H10BrF3N2 and a molecular weight of 295.10 g/mol. Its IUPAC name is 5-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name5-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
PubChem CID162745549
Molecular FormulaC10H10BrF3N2
Molecular Weight295.10 g/mol
Exact Mass294.00
IUPAC Name5-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine
SMILESFC(F)(F)C1CCN(c2ccc(Br)cn2)C1
InChIInChI=1S/C10H10BrF3N2/c11-8-1-2-9(15-5-8)16-4-3-7(6-16)10(12,13)14/h1-2,5,7H,3-4,6H2
InChIKeyQONRWWCMAQKCJQ-UHFFFAOYSA-N
XLogP3.23
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.10
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-5-bromopyridine
CID 70622
1-(5-Bromopyridin-2-yl)piperazine
CID 16414227
2-Amino-3-bromopyridine
CID 817700
1-(3-Bromopyridin-2-yl)-4-methylpiperazine
CID 12203911
1-(3-Bromopyridin-2-yl)piperazine
CID 13298529
5-bromo-N,N-dimethylpyridin-2-amine
CID 3803041
N-(5-Bromo-pyridin-2-yl)-guanidine
CID 10262708
2-(1H-pyrrol-1-yl)pyridine
CID 736557
2-(Pyrrolidin-1-yl)pyridine
CID 11019020
3-Bromo-5-(trifluoromethyl)pyridin-2-amine
CID 13064155
5-Bromo-N-methylpyridin-2-amine
CID 15645663
5-Bromo-3-(trifluoromethyl)pyridin-2-amine
CID 20525383

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
The IUPAC name of 5-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine (CID 162745549) is 5-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 5-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
The canonical SMILES for 5-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine is FC(F)(F)C1CCN(c2ccc(Br)cn2)C1.
What is the InChIKey of 5-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
The InChIKey is QONRWWCMAQKCJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrF3N2/c11-8-1-2-9(15-5-8)16-4-3-7(6-16)10(12,13)14/h1-2,5,7H,3-4,6H2.
What are the key properties of 5-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine?
5-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine has a molecular weight of 295.10 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[3-(trifluoromethyl)pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 162745549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).