2,3-dichloro-5-pentan-3-ylpyridine

C10H13Cl2N — CID 130457362

IUPAC2,3-dichloro-5-pentan-3-ylpyridine
SMILESCCC(CC)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2N/c1-3-7(4-2)8-5-9(11)10(12)13-6-8/h5-7H,3-4H2,1-2H3
InChIKeyBWHMVTRMCQRRCQ-UHFFFAOYSA-N
MW218.13 g/mol
LogP4.29
Rot. Bonds3

About 2,3-dichloro-5-pentan-3-ylpyridine

2,3-dichloro-5-pentan-3-ylpyridine (PubChem CID 130457362) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is 2,3-dichloro-5-pentan-3-ylpyridine.

Molecular Properties

Compound Name2,3-dichloro-5-pentan-3-ylpyridine
PubChem CID130457362
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name2,3-dichloro-5-pentan-3-ylpyridine
SMILESCCC(CC)c1cnc(Cl)c(Cl)c1
InChIInChI=1S/C10H13Cl2N/c1-3-7(4-2)8-5-9(11)10(12)13-6-8/h5-7H,3-4H2,1-2H3
InChIKeyBWHMVTRMCQRRCQ-UHFFFAOYSA-N
XLogP4.29
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.13
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2,3-dichloro-5-pentan-3-ylpyridine 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

2-chloro-5-pentan-3-ylpyridine
CID 134459618
(1S)-1-(5,6-dichloro-3-pyridinyl)-2-methylpropan-1-amine
CID 130714020
2,3-dichloro-5-ethylpyridine
CID 20678674
4-bromo-1-(5,6-dichloro-3-pyridinyl)butane-1,2-diol
CID 171891754
bis(2,3-dichloro-5-ethenylpyridine);(1R)-1-(5,6-dichloro-3-pyridinyl)ethane-1,2-diol;(1S)-1-(5,6-dichloro-3-pyridinyl)ethane-1,2-diol;bis(2-methylpropan-2-ol)
CID 160726524
3-chloro-2-ethyl-5-propan-2-ylpyridine;ethane
CID 142611311
CID 162106307
CID 162106307
1,2-dichloro-4-heptan-3-ylbenzene
CID 175611327
2-(3,4-dichlorophenyl)-N-methylbutan-1-amine
CID 23202154
N-[4-[(2R)-butan-2-yl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7935724
5,6-dichloro-N-[(2R)-1-hydroxybutan-2-yl]pyridine-3-carboxamide
CID 93040790
5,6-dichloropyridine-3-carbaldehyde
CID 11535654

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-5-pentan-3-ylpyridine?
The IUPAC name of 2,3-dichloro-5-pentan-3-ylpyridine (CID 130457362) is 2,3-dichloro-5-pentan-3-ylpyridine.
What is the SMILES notation for 2,3-dichloro-5-pentan-3-ylpyridine?
The canonical SMILES for 2,3-dichloro-5-pentan-3-ylpyridine is CCC(CC)c1cnc(Cl)c(Cl)c1.
What is the InChIKey of 2,3-dichloro-5-pentan-3-ylpyridine?
The InChIKey is BWHMVTRMCQRRCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N/c1-3-7(4-2)8-5-9(11)10(12)13-6-8/h5-7H,3-4H2,1-2H3.
What are the key properties of 2,3-dichloro-5-pentan-3-ylpyridine?
2,3-dichloro-5-pentan-3-ylpyridine has a molecular weight of 218.13 g/mol, XLogP of 4.29, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-5-pentan-3-ylpyridine is sourced from PubChem (CID 130457362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).