6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyridine

C14H18BrF2N3 — CID 168665704

IUPAC6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyridine
SMILESFC1(F)CCN(c2ccc(Br)nc2CN2CCCC2)C1
InChIInChI=1S/C14H18BrF2N3/c15-13-4-3-12(20-8-5-14(16,17)10-20)11(18-13)9-19-6-1-2-7-19/h3-4H,1-2,5-10H2
InChIKeyDHSVKNQKZDKWRJ-UHFFFAOYSA-N
MW346.22 g/mol
LogP3.29
Rot. Bonds3

About 6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyridine

6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyridine (PubChem CID 168665704) has the molecular formula C14H18BrF2N3 and a molecular weight of 346.22 g/mol. Its IUPAC name is 6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyridine.

Molecular Properties

Compound Name6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyridine
PubChem CID168665704
Molecular FormulaC14H18BrF2N3
Molecular Weight346.22 g/mol
Exact Mass345.07
IUPAC Name6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyridine
SMILESFC1(F)CCN(c2ccc(Br)nc2CN2CCCC2)C1
InChIInChI=1S/C14H18BrF2N3/c15-13-4-3-12(20-8-5-14(16,17)10-20)11(18-13)9-19-6-1-2-7-19/h3-4H,1-2,5-10H2
InChIKeyDHSVKNQKZDKWRJ-UHFFFAOYSA-N
XLogP3.29
TPSA19.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.22
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-bromo-3-piperidin-1-yl-2-(pyrrolidin-1-ylmethyl)pyridine
CID 168665697
N-[[6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine
CID 168665689
1-(2-bromophenyl)-3,3-difluoropyrrolidine
CID 115048930
4-bromo-6-(3,3-difluoropyrrolidin-1-yl)-2-methylpyrimidine
CID 131093374
1-(4-bromo-2-nitrophenyl)-3,3-difluoropyrrolidine
CID 86810728
3-bromo-2-(3,3-difluoropyrrolidin-1-yl)pyridine
CID 86810762
3-azido-6-bromo-2-(4,4-difluoropiperidin-1-yl)pyridine
CID 177342514
1-(3-bromo-2-nitrophenyl)-3,3-difluoropyrrolidine
CID 86810692
[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methanol
CID 170995627
2-chloro-6-(3,3-difluoropyrrolidin-1-yl)pyridine
CID 131116353
1-[(3-bromophenyl)methyl]-4,4-difluoropiperidine
CID 86686688
N-[[6-bromo-3-(4-methylpiperidin-1-yl)-2-pyridinyl]methyl]-N-ethylethanamine
CID 168665692

Frequently Asked Questions

What is the IUPAC name of 6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyridine?
The IUPAC name of 6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyridine (CID 168665704) is 6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyridine.
What is the SMILES notation for 6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyridine?
The canonical SMILES for 6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyridine is FC1(F)CCN(c2ccc(Br)nc2CN2CCCC2)C1.
What is the InChIKey of 6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyridine?
The InChIKey is DHSVKNQKZDKWRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrF2N3/c15-13-4-3-12(20-8-5-14(16,17)10-20)11(18-13)9-19-6-1-2-7-19/h3-4H,1-2,5-10H2.
What are the key properties of 6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyridine?
6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyridine has a molecular weight of 346.22 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-3-(3,3-difluoropyrrolidin-1-yl)-2-(pyrrolidin-1-ylmethyl)pyridine is sourced from PubChem (CID 168665704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).