4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine

C12H15BrClN — CID 83151291

IUPAC4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine
SMILESCC(CBr)(Cc1ccncc1Cl)C1CC1
InChIInChI=1S/C12H15BrClN/c1-12(8-13,10-2-3-10)6-9-4-5-15-7-11(9)14/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyDXFQHWVQZUMXSG-UHFFFAOYSA-N
MW288.62 g/mol
LogP4.09
Rot. Bonds4

About 4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine

4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine (PubChem CID 83151291) has the molecular formula C12H15BrClN and a molecular weight of 288.62 g/mol. Its IUPAC name is 4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine.

Molecular Properties

Compound Name4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine
PubChem CID83151291
Molecular FormulaC12H15BrClN
Molecular Weight288.62 g/mol
Exact Mass287.01
IUPAC Name4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine
SMILESCC(CBr)(Cc1ccncc1Cl)C1CC1
InChIInChI=1S/C12H15BrClN/c1-12(8-13,10-2-3-10)6-9-4-5-15-7-11(9)14/h4-5,7,10H,2-3,6,8H2,1H3
InChIKeyDXFQHWVQZUMXSG-UHFFFAOYSA-N
XLogP4.09
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.62
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-chloro-4-pyridinyl)-2-cyclopropyl-2-methylpropan-1-amine
CID 83148617
1-(3-bromo-2-cyclopropyl-2-methylpropyl)-2-chlorobenzene
CID 83151174
4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine
CID 83152349
1-(3-chloro-4-pyridinyl)-2-cyclohexylpropan-2-ol
CID 114794962
4-[2,2-bis(bromomethyl)-4-methylpentyl]-3-chloropyridine
CID 79452865
3-(3-chloro-4-pyridinyl)-2,2-dimethylpropanal
CID 130705947
5-(3-bromo-2-cyclopropyl-2-methylpropyl)-1,3-thiazole
CID 112645374
2-[(3-chloro-4-pyridinyl)methyl]-2-fluoro-3,3-dimethylbutan-1-amine
CID 112566520
4-[1-(3-chloro-4-pyridinyl)-2-hydroxypropan-2-yl]phenol
CID 83075337
2-(3-chloro-4-pyridinyl)-N-methyl-1-[4-(trifluoromethyl)cyclohexyl]ethanamine
CID 115984863
4-(2-bromo-4,4-dimethylpentyl)-3-chloropyridine
CID 112656202
1-(3-chloro-4-pyridinyl)-3-(2-fluorophenyl)-2-methylpropan-2-amine
CID 114833502

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine?
The IUPAC name of 4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine (CID 83151291) is 4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine.
What is the SMILES notation for 4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine?
The canonical SMILES for 4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine is CC(CBr)(Cc1ccncc1Cl)C1CC1.
What is the InChIKey of 4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine?
The InChIKey is DXFQHWVQZUMXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrClN/c1-12(8-13,10-2-3-10)6-9-4-5-15-7-11(9)14/h4-5,7,10H,2-3,6,8H2,1H3.
What are the key properties of 4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine?
4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine has a molecular weight of 288.62 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine is sourced from PubChem (CID 83151291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).