5-(3-chloro-2-methylpropyl)-2-methylpyridine

C10H14ClN — CID 64664823

IUPAC5-(3-chloro-2-methylpropyl)-2-methylpyridine
SMILESCc1ccc(CC(C)CCl)cn1
InChIInChI=1S/C10H14ClN/c1-8(6-11)5-10-4-3-9(2)12-7-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyQYGVJDKHYKDEKB-UHFFFAOYSA-N
MW183.68 g/mol
LogP2.81
Rot. Bonds3

About 5-(3-chloro-2-methylpropyl)-2-methylpyridine

5-(3-chloro-2-methylpropyl)-2-methylpyridine (PubChem CID 64664823) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 5-(3-chloro-2-methylpropyl)-2-methylpyridine.

Molecular Properties

Compound Name5-(3-chloro-2-methylpropyl)-2-methylpyridine
PubChem CID64664823
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name5-(3-chloro-2-methylpropyl)-2-methylpyridine
SMILESCc1ccc(CC(C)CCl)cn1
InChIInChI=1S/C10H14ClN/c1-8(6-11)5-10-4-3-9(2)12-7-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyQYGVJDKHYKDEKB-UHFFFAOYSA-N
XLogP2.81
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.68
LogP ≤ 52.81
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-methyl-3-(6-methyl-3-pyridinyl)propan-1-ol
CID 64666706
N,2-dimethyl-3-(6-methyl-3-pyridinyl)propan-1-amine
CID 64664536
N-[2-methyl-3-(6-methyl-3-pyridinyl)propyl]cyclopropanamine
CID 64666694
1-(3-chloro-2-methylpropyl)-4-fluorobenzene
CID 64666750
2-amino-3-(6-methyl-3-pyridinyl)propanoic acid
CID 55295343
ethane;2-methyl-5-(propan-2-yloxymethyl)pyridine
CID 171518990
2-chloro-5-[(2S)-2-methylbutyl]pyridine
CID 56840075
1-(3-chloro-2-methylpropyl)-3,5-dimethylbenzene
CID 64666954
(6-methyl-3-pyridinyl)methanamine;hydrobromide
CID 133057273
(6-methyl-3-pyridinyl)methyl-triphenylphosphanium
CID 11732193
5-chloro-2-[(6-methyl-3-pyridinyl)methyl]pyridine
CID 121264421
methyl 2-(aminomethyl)-3-(6-methyl-3-pyridinyl)propanoate
CID 104822729

Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-2-methylpropyl)-2-methylpyridine?
The IUPAC name of 5-(3-chloro-2-methylpropyl)-2-methylpyridine (CID 64664823) is 5-(3-chloro-2-methylpropyl)-2-methylpyridine.
What is the SMILES notation for 5-(3-chloro-2-methylpropyl)-2-methylpyridine?
The canonical SMILES for 5-(3-chloro-2-methylpropyl)-2-methylpyridine is Cc1ccc(CC(C)CCl)cn1.
What is the InChIKey of 5-(3-chloro-2-methylpropyl)-2-methylpyridine?
The InChIKey is QYGVJDKHYKDEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN/c1-8(6-11)5-10-4-3-9(2)12-7-10/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 5-(3-chloro-2-methylpropyl)-2-methylpyridine?
5-(3-chloro-2-methylpropyl)-2-methylpyridine has a molecular weight of 183.68 g/mol, XLogP of 2.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-2-methylpropyl)-2-methylpyridine is sourced from PubChem (CID 64664823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).