3-chloro-2-(3-chloropentan-2-yl)pyridine

C10H13Cl2N — CID 63561029

IUPAC3-chloro-2-(3-chloropentan-2-yl)pyridine
SMILESCCC(Cl)C(C)c1ncccc1Cl
InChIInChI=1S/C10H13Cl2N/c1-3-8(11)7(2)10-9(12)5-4-6-13-10/h4-8H,3H2,1-2H3
InChIKeyXIDPGDWXTCCGGB-UHFFFAOYSA-N
MW218.13 g/mol
LogP3.86
Rot. Bonds3

About 3-chloro-2-(3-chloropentan-2-yl)pyridine

3-chloro-2-(3-chloropentan-2-yl)pyridine (PubChem CID 63561029) has the molecular formula C10H13Cl2N and a molecular weight of 218.13 g/mol. Its IUPAC name is 3-chloro-2-(3-chloropentan-2-yl)pyridine.

Molecular Properties

Compound Name3-chloro-2-(3-chloropentan-2-yl)pyridine
PubChem CID63561029
Molecular FormulaC10H13Cl2N
Molecular Weight218.13 g/mol
Exact Mass217.04
IUPAC Name3-chloro-2-(3-chloropentan-2-yl)pyridine
SMILESCCC(Cl)C(C)c1ncccc1Cl
InChIInChI=1S/C10H13Cl2N/c1-3-8(11)7(2)10-9(12)5-4-6-13-10/h4-8H,3H2,1-2H3
InChIKeyXIDPGDWXTCCGGB-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
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

2-(3-chloropentan-2-yl)-3-fluoropyridine
CID 63560055
1-(3-chloro-2-pyridinyl)-2-ethylbutan-1-amine
CID 103443833
(1S)-1-(3-chloro-2-pyridinyl)ethanamine
CID 103663393
1-(3-chloro-2-pyridinyl)ethane-1,2-diamine
CID 55293817
3-(3-chloro-2-pyridinyl)butan-2-one
CID 63196359
1-(3-chloro-2-pyridinyl)-N-ethyl-3-methylbut-2-en-1-amine
CID 103444555
N-[(3-chloro-2-pyridinyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 103444898
1-(3-chloro-2-pyridinyl)tridecan-1-amine
CID 103443784
1-(3-chloro-2-pyridinyl)butylhydrazine
CID 103445669
1-(3-chloro-2-pyridinyl)-2,2-dimethylpropan-1-amine
CID 103852479
3-amino-1-(3-chloro-2-pyridinyl)propane-1,2-diol
CID 170827536
3-butan-2-yloxy-2-(3-chloro-2-pyridinyl)-3-oxopropanoic acid
CID 118693103

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-(3-chloropentan-2-yl)pyridine?
The IUPAC name of 3-chloro-2-(3-chloropentan-2-yl)pyridine (CID 63561029) is 3-chloro-2-(3-chloropentan-2-yl)pyridine.
What is the SMILES notation for 3-chloro-2-(3-chloropentan-2-yl)pyridine?
The canonical SMILES for 3-chloro-2-(3-chloropentan-2-yl)pyridine is CCC(Cl)C(C)c1ncccc1Cl.
What is the InChIKey of 3-chloro-2-(3-chloropentan-2-yl)pyridine?
The InChIKey is XIDPGDWXTCCGGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2N/c1-3-8(11)7(2)10-9(12)5-4-6-13-10/h4-8H,3H2,1-2H3.
What are the key properties of 3-chloro-2-(3-chloropentan-2-yl)pyridine?
3-chloro-2-(3-chloropentan-2-yl)pyridine has a molecular weight of 218.13 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-(3-chloropentan-2-yl)pyridine is sourced from PubChem (CID 63561029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).