6-chloro-3-methyl-1-(2-methylpropyl)-2H-pyridine

C10H16ClN — CID 141005839

IUPAC6-chloro-3-methyl-1-(2-methylpropyl)-2H-pyridine
SMILESCC1=CC=C(Cl)N(CC(C)C)C1
InChIInChI=1S/C10H16ClN/c1-8(2)6-12-7-9(3)4-5-10(12)11/h4-5,8H,6-7H2,1-3H3
InChIKeyHYLRKHUDBWYVAK-UHFFFAOYSA-N
MW185.70 g/mol
LogP2.98
Rot. Bonds2

About 6-chloro-3-methyl-1-(2-methylpropyl)-2H-pyridine

6-chloro-3-methyl-1-(2-methylpropyl)-2H-pyridine (PubChem CID 141005839) has the molecular formula C10H16ClN and a molecular weight of 185.70 g/mol. Its IUPAC name is 6-chloro-3-methyl-1-(2-methylpropyl)-2H-pyridine.

Molecular Properties

Compound Name6-chloro-3-methyl-1-(2-methylpropyl)-2H-pyridine
PubChem CID141005839
Molecular FormulaC10H16ClN
Molecular Weight185.70 g/mol
Exact Mass185.10
IUPAC Name6-chloro-3-methyl-1-(2-methylpropyl)-2H-pyridine
SMILESCC1=CC=C(Cl)N(CC(C)C)C1
InChIInChI=1S/C10H16ClN/c1-8(2)6-12-7-9(3)4-5-10(12)11/h4-5,8H,6-7H2,1-3H3
InChIKeyHYLRKHUDBWYVAK-UHFFFAOYSA-N
XLogP2.98
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.70
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-fluoro-1,3-dimethyl-2H-pyridine
CID 146392793
1-ethenyl-1-(2-methylprop-2-enyl)-2H-pyridin-1-ium
CID 21225758
1,1-diethyl-3-methyl-2H-pyridin-1-ium
CID 69761085
6-chloro-4-ethenyl-1-ethyl-2H-pyridine
CID 70452475
1-butyl-3-methyl-2H-pyridine;hydrochloride
CID 141422945
6-chloro-1,4-dimethyl-2H-pyridine;ethane
CID 145054930
3-methyl-1-(2-methylpropyl)-2H-pyridine
CID 153940517
3-methyl-1,1-dipropyl-2H-pyridin-1-ium
CID 172789089
1-ethyl-3-methyl-2H-pyridine;hydrochloride
CID 172849708
hydron;1-(2-methylpropyl)-2H-pyridine
CID 174641369
1-ethyl-3-methyl-2H-pyridine;methane
CID 174755616
3-methyl-1-(2-methylpropyl)-2H-pyridine;hydrobromide
CID 174771844

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methyl-1-(2-methylpropyl)-2H-pyridine?
The IUPAC name of 6-chloro-3-methyl-1-(2-methylpropyl)-2H-pyridine (CID 141005839) is 6-chloro-3-methyl-1-(2-methylpropyl)-2H-pyridine.
What is the SMILES notation for 6-chloro-3-methyl-1-(2-methylpropyl)-2H-pyridine?
The canonical SMILES for 6-chloro-3-methyl-1-(2-methylpropyl)-2H-pyridine is CC1=CC=C(Cl)N(CC(C)C)C1.
What is the InChIKey of 6-chloro-3-methyl-1-(2-methylpropyl)-2H-pyridine?
The InChIKey is HYLRKHUDBWYVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN/c1-8(2)6-12-7-9(3)4-5-10(12)11/h4-5,8H,6-7H2,1-3H3.
What are the key properties of 6-chloro-3-methyl-1-(2-methylpropyl)-2H-pyridine?
6-chloro-3-methyl-1-(2-methylpropyl)-2H-pyridine has a molecular weight of 185.70 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methyl-1-(2-methylpropyl)-2H-pyridine is sourced from PubChem (CID 141005839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).