2-(2-bromoethyl)-4-pyrazol-1-ylpyridine

C10H10BrN3 — CID 174677746

IUPAC2-(2-bromoethyl)-4-pyrazol-1-ylpyridine
SMILESBrCCc1cc(-n2cccn2)ccn1
InChIInChI=1S/C10H10BrN3/c11-4-2-9-8-10(3-6-12-9)14-7-1-5-13-14/h1,3,5-8H,2,4H2
InChIKeyUPFGQCJIMKFQFF-UHFFFAOYSA-N
MW252.12 g/mol
LogP2.20
Rot. Bonds3

About 2-(2-bromoethyl)-4-pyrazol-1-ylpyridine

2-(2-bromoethyl)-4-pyrazol-1-ylpyridine (PubChem CID 174677746) has the molecular formula C10H10BrN3 and a molecular weight of 252.12 g/mol. Its IUPAC name is 2-(2-bromoethyl)-4-pyrazol-1-ylpyridine.

Molecular Properties

Compound Name2-(2-bromoethyl)-4-pyrazol-1-ylpyridine
PubChem CID174677746
Molecular FormulaC10H10BrN3
Molecular Weight252.12 g/mol
Exact Mass251.01
IUPAC Name2-(2-bromoethyl)-4-pyrazol-1-ylpyridine
SMILESBrCCc1cc(-n2cccn2)ccn1
InChIInChI=1S/C10H10BrN3/c11-4-2-9-8-10(3-6-12-9)14-7-1-5-13-14/h1,3,5-8H,2,4H2
InChIKeyUPFGQCJIMKFQFF-UHFFFAOYSA-N
XLogP2.20
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 ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-prop-1-en-2-yl-4-pyrazol-1-ylpyridine
CID 175922908
(3-pyrazol-1-ylphenyl)methanamine;hydrochloride
CID 52988138
1-(3,4-dichlorophenyl)pyrazole
CID 20572459
4-ethoxy-7-pyrazol-1-ylquinoline
CID 155778831
1-(4-bromophenyl)pyrazole
CID 10443564
(3-pyrazol-1-ylphenyl)methylazanium
CID 3258757
1-[3-[3,5-bis(3-pyrazol-1-ylphenyl)phenyl]phenyl]pyrazole
CID 138572768
4-pyrazol-1-yl-N-(2-pyridin-4-ylethyl)pyridine-2-carboxamide
CID 71801475
ethane;(2-methyl-5-pyrazol-1-ylphenyl)methanol
CID 143966234
1-(18-pyrazol-1-yl-9,14-dioxapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3(8),4,6,11,15(20),16,18-nonaen-5-yl)pyrazole
CID 156627335
N-(3-aminopropyl)-4-pyrazol-1-ylpyridine-2-carboxamide
CID 119405198
1-[4-(3-bromoprop-1-enyl)phenyl]pyrazole
CID 79322595

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)-4-pyrazol-1-ylpyridine?
The IUPAC name of 2-(2-bromoethyl)-4-pyrazol-1-ylpyridine (CID 174677746) is 2-(2-bromoethyl)-4-pyrazol-1-ylpyridine.
What is the SMILES notation for 2-(2-bromoethyl)-4-pyrazol-1-ylpyridine?
The canonical SMILES for 2-(2-bromoethyl)-4-pyrazol-1-ylpyridine is BrCCc1cc(-n2cccn2)ccn1.
What is the InChIKey of 2-(2-bromoethyl)-4-pyrazol-1-ylpyridine?
The InChIKey is UPFGQCJIMKFQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3/c11-4-2-9-8-10(3-6-12-9)14-7-1-5-13-14/h1,3,5-8H,2,4H2.
What are the key properties of 2-(2-bromoethyl)-4-pyrazol-1-ylpyridine?
2-(2-bromoethyl)-4-pyrazol-1-ylpyridine has a molecular weight of 252.12 g/mol, XLogP of 2.20, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-4-pyrazol-1-ylpyridine is sourced from PubChem (CID 174677746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).