2-chloro-5-[(2S)-2-methylbutyl]pyridine

C10H14ClN — CID 56840075

IUPAC2-chloro-5-[(2S)-2-methylbutyl]pyridine
SMILESCC[C@H](C)Cc1ccc(Cl)nc1
InChIInChI=1S/C10H14ClN/c1-3-8(2)6-9-4-5-10(11)12-7-9/h4-5,7-8H,3,6H2,1-2H3/t8-/m0/s1
InChIKeyRMAKRNKKSROWCQ-QMMMGPOBSA-N
MW183.68 g/mol
LogP3.32
Rot. Bonds3

About 2-chloro-5-[(2S)-2-methylbutyl]pyridine

2-chloro-5-[(2S)-2-methylbutyl]pyridine (PubChem CID 56840075) has the molecular formula C10H14ClN and a molecular weight of 183.68 g/mol. Its IUPAC name is 2-chloro-5-[(2S)-2-methylbutyl]pyridine.

Molecular Properties

Compound Name2-chloro-5-[(2S)-2-methylbutyl]pyridine
PubChem CID56840075
Molecular FormulaC10H14ClN
Molecular Weight183.68 g/mol
Exact Mass183.08
IUPAC Name2-chloro-5-[(2S)-2-methylbutyl]pyridine
SMILESCC[C@H](C)Cc1ccc(Cl)nc1
InChIInChI=1S/C10H14ClN/c1-3-8(2)6-9-4-5-10(11)12-7-9/h4-5,7-8H,3,6H2,1-2H3/t8-/m0/s1
InChIKeyRMAKRNKKSROWCQ-QMMMGPOBSA-N
XLogP3.32
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 ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[(6-chloro-3-pyridinyl)methyl]butanoic acid
CID 83067082
N-[(6-chloro-3-pyridinyl)methyl]-N-ethylbutan-2-amine
CID 43274506
1,4-bis(2-methylbutyl)benzene;ethane
CID 145016411
1,6-bis(6-chloro-3-pyridinyl)hexane-2,5-diamine
CID 18365459
2-chloro-5-(2-methylpropyl)pyridine;1-methoxy-4-(2-methylpropyl)benzene
CID 161342244
5-(2-methylbutyl)-2-thiophen-2-ylpyridine
CID 142831463
N-[2-(6-chloro-3-pyridinyl)ethyl]-2-methylpentan-3-amine
CID 115728798
N-[(6-chloro-3-pyridinyl)methyl]-2-methylbutanethioamide
CID 90853819
2-chloro-5-pentan-3-ylpyridine
CID 134459618
dimethyl 2-[(6-chloro-3-pyridinyl)methyl]propanedioate
CID 103972363
5-(3-chloro-2-methylpropyl)-2-methylpyridine
CID 64664823
4-(6-chloro-3-pyridinyl)butane-1,3-diamine
CID 18365460

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2S)-2-methylbutyl]pyridine?
The IUPAC name of 2-chloro-5-[(2S)-2-methylbutyl]pyridine (CID 56840075) is 2-chloro-5-[(2S)-2-methylbutyl]pyridine.
What is the SMILES notation for 2-chloro-5-[(2S)-2-methylbutyl]pyridine?
The canonical SMILES for 2-chloro-5-[(2S)-2-methylbutyl]pyridine is CC[C@H](C)Cc1ccc(Cl)nc1.
What is the InChIKey of 2-chloro-5-[(2S)-2-methylbutyl]pyridine?
The InChIKey is RMAKRNKKSROWCQ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H14ClN/c1-3-8(2)6-9-4-5-10(11)12-7-9/h4-5,7-8H,3,6H2,1-2H3/t8-/m0/s1.
What are the key properties of 2-chloro-5-[(2S)-2-methylbutyl]pyridine?
2-chloro-5-[(2S)-2-methylbutyl]pyridine has a molecular weight of 183.68 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2S)-2-methylbutyl]pyridine is sourced from PubChem (CID 56840075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).