2-bromopentane

C5H11Br — CID 7890

IUPAC2-bromopentane
SMILESCCCC(C)Br
InChIInChI=1S/C5H11Br/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
InChIKeyLGAJYTCRJPCZRJ-UHFFFAOYSA-N
MW151.05 g/mol
LogP2.57
Rot. Bonds2

About 2-bromopentane

2-bromopentane (PubChem CID 7890) has the molecular formula C5H11Br and a molecular weight of 151.05 g/mol. Its IUPAC name is 2-bromopentane.

Molecular Properties

Compound Name2-bromopentane
PubChem CID7890
Molecular FormulaC5H11Br
Molecular Weight151.05 g/mol
Exact Mass150.00
IUPAC Name2-bromopentane
SMILESCCCC(C)Br
InChIInChI=1S/C5H11Br/c1-3-4-5(2)6/h5H,3-4H2,1-2H3
InChIKeyLGAJYTCRJPCZRJ-UHFFFAOYSA-N
XLogP2.57
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.05
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

Butyl bromide
CID 8002
1-Bromohexane
CID 8101
2-Bromobutane
CID 6554
1-Bromopentane
CID 8057
2-Bromohexane
CID 18805
2,3-Dibromobutane
CID 21508
1,4-Dibromopentane
CID 79082
1,3-Dibromobutane
CID 7889
1,2-Dibromobutane
CID 10792
3-Bromopentane
CID 15738
2-Bromoheptane
CID 16090
3-Bromoheptane
CID 16091

Frequently Asked Questions

What is the IUPAC name of 2-bromopentane?
The IUPAC name of 2-bromopentane (CID 7890) is 2-bromopentane.
What is the SMILES notation for 2-bromopentane?
The canonical SMILES for 2-bromopentane is CCCC(C)Br.
What is the InChIKey of 2-bromopentane?
The InChIKey is LGAJYTCRJPCZRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11Br/c1-3-4-5(2)6/h5H,3-4H2,1-2H3.
What are the key properties of 2-bromopentane?
2-bromopentane has a molecular weight of 151.05 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromopentane is sourced from PubChem (CID 7890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).