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

C11H16ClN — CID 146396918

IUPAC2-(3-chloro-2-methylpentan-3-yl)pyridine
SMILESCCC(Cl)(c1ccccn1)C(C)C
InChIInChI=1S/C11H16ClN/c1-4-11(12,9(2)3)10-7-5-6-8-13-10/h5-9H,4H2,1-3H3
InChIKeyHANLNKYIOACIJM-UHFFFAOYSA-N
MW197.71 g/mol
LogP3.58
Rot. Bonds3

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

2-(3-chloro-2-methylpentan-3-yl)pyridine (PubChem CID 146396918) has the molecular formula C11H16ClN and a molecular weight of 197.71 g/mol. Its IUPAC name is 2-(3-chloro-2-methylpentan-3-yl)pyridine.

Molecular Properties

Compound Name2-(3-chloro-2-methylpentan-3-yl)pyridine
PubChem CID146396918
Molecular FormulaC11H16ClN
Molecular Weight197.71 g/mol
Exact Mass197.10
IUPAC Name2-(3-chloro-2-methylpentan-3-yl)pyridine
SMILESCCC(Cl)(c1ccccn1)C(C)C
InChIInChI=1S/C11H16ClN/c1-4-11(12,9(2)3)10-7-5-6-8-13-10/h5-9H,4H2,1-3H3
InChIKeyHANLNKYIOACIJM-UHFFFAOYSA-N
XLogP3.58
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.71
LogP ≤ 53.58
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-(1,1-difluoro-2-methylpropyl)pyridine
CID 116841481
2-(1,1-difluoropropyl)pyridine
CID 59088790
1-pyridin-2-ylpropane-1,1-diol
CID 18373059
5-methyl-3-pyridin-2-ylhexan-3-ol
CID 146396813
2-(3-fluoro-5-methylhexan-3-yl)pyridine
CID 146397049
ethane;2-methyl-1,1-dipyridin-2-ylpropan-1-ol
CID 142343342
(2S)-3-methyl-2-pyridin-2-ylbutan-2-ol
CID 162467836
2-hydroxy-3-methyl-2-pyridin-2-ylbutanoic acid
CID 83698678
dichloro(pyridin-2-yl)methanol;zirconium
CID 174374690
2-(2-ethoxybutan-2-yl)pyridine
CID 146396878
(1S)-1-phenyl-1-pyridin-2-ylpropan-1-ol
CID 12522815
2-methyl-3-pyridin-2-yldecan-3-ol
CID 21415641

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-methylpentan-3-yl)pyridine?
The IUPAC name of 2-(3-chloro-2-methylpentan-3-yl)pyridine (CID 146396918) is 2-(3-chloro-2-methylpentan-3-yl)pyridine.
What is the SMILES notation for 2-(3-chloro-2-methylpentan-3-yl)pyridine?
The canonical SMILES for 2-(3-chloro-2-methylpentan-3-yl)pyridine is CCC(Cl)(c1ccccn1)C(C)C.
What is the InChIKey of 2-(3-chloro-2-methylpentan-3-yl)pyridine?
The InChIKey is HANLNKYIOACIJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN/c1-4-11(12,9(2)3)10-7-5-6-8-13-10/h5-9H,4H2,1-3H3.
What are the key properties of 2-(3-chloro-2-methylpentan-3-yl)pyridine?
2-(3-chloro-2-methylpentan-3-yl)pyridine has a molecular weight of 197.71 g/mol, XLogP of 3.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-methylpentan-3-yl)pyridine is sourced from PubChem (CID 146396918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).