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

C18H19BrN2 — CID 151362991

IUPAC2-bromo-5-[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]pyridine
SMILESBrc1ccc(N2CCCC2c2ccccc2C2CC2)cn1
InChIInChI=1S/C18H19BrN2/c19-18-10-9-14(12-20-18)21-11-3-6-17(21)16-5-2-1-4-15(16)13-7-8-13/h1-2,4-5,9-10,12-13,17H,3,6-8,11H2
InChIKeyOOVVFQZGWBBUGE-UHFFFAOYSA-N
MW343.27 g/mol
LogP5.06
Rot. Bonds3

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

2-bromo-5-[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]pyridine (PubChem CID 151362991) has the molecular formula C18H19BrN2 and a molecular weight of 343.27 g/mol. Its IUPAC name is 2-bromo-5-[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]pyridine.

Molecular Properties

Compound Name2-bromo-5-[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]pyridine
PubChem CID151362991
Molecular FormulaC18H19BrN2
Molecular Weight343.27 g/mol
Exact Mass342.07
IUPAC Name2-bromo-5-[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]pyridine
SMILESBrc1ccc(N2CCCC2c2ccccc2C2CC2)cn1
InChIInChI=1S/C18H19BrN2/c19-18-10-9-14(12-20-18)21-11-3-6-17(21)16-5-2-1-4-15(16)13-7-8-13/h1-2,4-5,9-10,12-13,17H,3,6-8,11H2
InChIKeyOOVVFQZGWBBUGE-UHFFFAOYSA-N
XLogP5.06
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.27
LogP ≤ 55.06
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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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]pyridine?
The IUPAC name of 2-bromo-5-[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]pyridine (CID 151362991) is 2-bromo-5-[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]pyridine.
What is the SMILES notation for 2-bromo-5-[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]pyridine?
The canonical SMILES for 2-bromo-5-[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]pyridine is Brc1ccc(N2CCCC2c2ccccc2C2CC2)cn1.
What is the InChIKey of 2-bromo-5-[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]pyridine?
The InChIKey is OOVVFQZGWBBUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19BrN2/c19-18-10-9-14(12-20-18)21-11-3-6-17(21)16-5-2-1-4-15(16)13-7-8-13/h1-2,4-5,9-10,12-13,17H,3,6-8,11H2.
What are the key properties of 2-bromo-5-[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]pyridine?
2-bromo-5-[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]pyridine has a molecular weight of 343.27 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[2-(2-cyclopropylphenyl)pyrrolidin-1-yl]pyridine is sourced from PubChem (CID 151362991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).