2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine

C10H10BrN3 — CID 130834125

IUPAC2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine
SMILESBrc1ccn(CCc2ccccn2)n1
InChIInChI=1S/C10H10BrN3/c11-10-5-8-14(13-10)7-4-9-3-1-2-6-12-9/h1-3,5-6,8H,4,7H2
InChIKeyQVDSWEBCVPKYPM-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.28
Rot. Bonds3

About 2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine

2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine (PubChem CID 130834125) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine.

Molecular Properties

Compound Name2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine
PubChem CID130834125
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine
SMILESBrc1ccn(CCc2ccccn2)n1
InChIInChI=1S/C10H10BrN3/c11-10-5-8-14(13-10)7-4-9-3-1-2-6-12-9/h1-3,5-6,8H,4,7H2
InChIKeyQVDSWEBCVPKYPM-UHFFFAOYSA-N
XLogP2.28
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.12
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-pyridin-2-ylethyl)-1,2,4-triazol-3-amine
CID 60910683
6-(3-bromopyrazol-1-yl)-2-chloro-9-(2-pyridin-2-ylethyl)purine
CID 175967483
2-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]pyridine
CID 47350151
1-[2-(2-pyridin-2-ylethoxy)ethyl]pyrazol-3-amine
CID 55205458
2-[2-[5-(4-bromophenyl)tetrazol-2-yl]ethyl]pyridine
CID 30176128
1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 116618481
1-(2-pyridin-2-ylethyl)pyrimidin-2-one
CID 116618349
methyl 4-[[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]carbamoyl]benzoate
CID 49496908
5-amino-3-bromo-1-(2-pyridin-2-ylethyl)pyridin-2-one
CID 80501795
2-(14-pyridin-2-yltetradecyl)pyridine
CID 10594187
2,4-dichloro-N-[1-(2-pyridin-2-ylethyl)pyrazol-3-yl]benzamide
CID 49497172
1-(2-pyridin-2-ylethyl)imidazole-2-carbaldehyde
CID 62221205

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine?
The IUPAC name of 2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine (CID 130834125) is 2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine.
What is the SMILES notation for 2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine?
The canonical SMILES for 2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine is Brc1ccn(CCc2ccccn2)n1.
What is the InChIKey of 2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine?
The InChIKey is QVDSWEBCVPKYPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c11-10-5-8-14(13-10)7-4-9-3-1-2-6-12-9/h1-3,5-6,8H,4,7H2.
What are the key properties of 2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine?
2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine has a molecular weight of 252.12 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-bromopyrazol-1-yl)ethyl]pyridine is sourced from PubChem (CID 130834125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).