4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine

C12H17BrClN — CID 83152349

IUPAC4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine
SMILESCC(C)C(C)(CBr)Cc1ccncc1Cl
InChIInChI=1S/C12H17BrClN/c1-9(2)12(3,8-13)6-10-4-5-15-7-11(10)14/h4-5,7,9H,6,8H2,1-3H3
InChIKeyWDRIAPLPLAYUNP-UHFFFAOYSA-N
MW290.63 g/mol
LogP4.33
Rot. Bonds4

About 4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine

4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine (PubChem CID 83152349) has the molecular formula C12H17BrClN and a molecular weight of 290.63 g/mol. Its IUPAC name is 4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine.

Molecular Properties

Compound Name4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine
PubChem CID83152349
Molecular FormulaC12H17BrClN
Molecular Weight290.63 g/mol
Exact Mass289.02
IUPAC Name4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine
SMILESCC(C)C(C)(CBr)Cc1ccncc1Cl
InChIInChI=1S/C12H17BrClN/c1-9(2)12(3,8-13)6-10-4-5-15-7-11(10)14/h4-5,7,9H,6,8H2,1-3H3
InChIKeyWDRIAPLPLAYUNP-UHFFFAOYSA-N
XLogP4.33
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.63
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

4-[2,2-bis(bromomethyl)-4-methylpentyl]-3-chloropyridine
CID 79452865
4-(3-bromo-2-cyclopropyl-2-methylpropyl)-3-chloropyridine
CID 83151291
3-(3-chloro-4-pyridinyl)-2,2-dimethylpropanal
CID 130705947
4-[2,2-bis(chloromethyl)-4-methylpentyl]-3-chloropyridine
CID 79448044
4-(2-bromo-3-methylbutyl)-3-chloropyridine
CID 79841432
4-(2-bromo-4,4-dimethylpentyl)-3-chloropyridine
CID 112656202
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
1-(3-chloro-4-pyridinyl)-3-methylbutan-2-one
CID 64989470
3-chloro-4-(2-chloro-4,5,5-trimethylhexyl)pyridine
CID 112655993
N-(2-bromoethyl)-N-[(3-chloro-4-pyridinyl)methyl]propan-2-amine
CID 80671408
1-(3-chloro-4-pyridinyl)-3-methylbutane-2,3-diol
CID 103449011

Frequently Asked Questions

What is the IUPAC name of 4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine?
The IUPAC name of 4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine (CID 83152349) is 4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine.
What is the SMILES notation for 4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine?
The canonical SMILES for 4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine is CC(C)C(C)(CBr)Cc1ccncc1Cl.
What is the InChIKey of 4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine?
The InChIKey is WDRIAPLPLAYUNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrClN/c1-9(2)12(3,8-13)6-10-4-5-15-7-11(10)14/h4-5,7,9H,6,8H2,1-3H3.
What are the key properties of 4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine?
4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine has a molecular weight of 290.63 g/mol, XLogP of 4.33, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(bromomethyl)-2,3-dimethylbutyl]-3-chloropyridine is sourced from PubChem (CID 83152349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).