5-chloro-2-methyl-3-[(Z)-4-methylhex-2-en-3-yl]pyridine

C13H18ClN — CID 146393573

IUPAC5-chloro-2-methyl-3-[(Z)-4-methylhex-2-en-3-yl]pyridine
SMILESC/C=C(\c1cc(Cl)cnc1C)C(C)CC
InChIInChI=1S/C13H18ClN/c1-5-9(3)12(6-2)13-7-11(14)8-15-10(13)4/h6-9H,5H2,1-4H3/b12-6-
InChIKeyIWVURXPJZAQGDR-SDQBBNPISA-N
MW223.75 g/mol
LogP4.49
Rot. Bonds3

About 5-chloro-2-methyl-3-[(Z)-4-methylhex-2-en-3-yl]pyridine

5-chloro-2-methyl-3-[(Z)-4-methylhex-2-en-3-yl]pyridine (PubChem CID 146393573) has the molecular formula C13H18ClN and a molecular weight of 223.75 g/mol. Its IUPAC name is 5-chloro-2-methyl-3-[(Z)-4-methylhex-2-en-3-yl]pyridine.

Molecular Properties

Compound Name5-chloro-2-methyl-3-[(Z)-4-methylhex-2-en-3-yl]pyridine
PubChem CID146393573
Molecular FormulaC13H18ClN
Molecular Weight223.75 g/mol
Exact Mass223.11
IUPAC Name5-chloro-2-methyl-3-[(Z)-4-methylhex-2-en-3-yl]pyridine
SMILESC/C=C(\c1cc(Cl)cnc1C)C(C)CC
InChIInChI=1S/C13H18ClN/c1-5-9(3)12(6-2)13-7-11(14)8-15-10(13)4/h6-9H,5H2,1-4H3/b12-6-
InChIKeyIWVURXPJZAQGDR-SDQBBNPISA-N
XLogP4.49
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.75
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutan-1-imine
CID 165125525
1-(5,6-dimethyl-3-pyridinyl)-2-methylbutan-1-one
CID 130560318
N-(6-chloro-4-methyl-3-pyridinyl)-2-methylbutanamide
CID 130163146
diethyl 5-chloropyridine-2,3-dicarboxylate
CID 14097638
2-[(2R)-butan-2-yl]oxy-3,5-dichloropyridine
CID 176889482
3-butan-2-yl-5-chloropyridine-2-carboxylic acid
CID 66931655
5-chloro-2-methyl-3-nitrososulfanylpyridine
CID 89387191
1-(3-bromo-5-chloro-2-pyridinyl)ethanol
CID 71744171
5-chloro-2-ethoxycarbonylpyridine-3-carboxylic acid
CID 131431578
methyl N-(5-chloro-2-methyl-3-pyridinyl)carbamate
CID 174621984
propan-2-yl 2,5-dichloropyridine-3-carboxylate
CID 133060065
3-chloro-1-(5-chloro-3-methyl-2-pyridinyl)propane-1,2-diol
CID 171861743

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methyl-3-[(Z)-4-methylhex-2-en-3-yl]pyridine?
The IUPAC name of 5-chloro-2-methyl-3-[(Z)-4-methylhex-2-en-3-yl]pyridine (CID 146393573) is 5-chloro-2-methyl-3-[(Z)-4-methylhex-2-en-3-yl]pyridine.
What is the SMILES notation for 5-chloro-2-methyl-3-[(Z)-4-methylhex-2-en-3-yl]pyridine?
The canonical SMILES for 5-chloro-2-methyl-3-[(Z)-4-methylhex-2-en-3-yl]pyridine is C/C=C(\c1cc(Cl)cnc1C)C(C)CC.
What is the InChIKey of 5-chloro-2-methyl-3-[(Z)-4-methylhex-2-en-3-yl]pyridine?
The InChIKey is IWVURXPJZAQGDR-SDQBBNPISA-N. The full InChI is InChI=1S/C13H18ClN/c1-5-9(3)12(6-2)13-7-11(14)8-15-10(13)4/h6-9H,5H2,1-4H3/b12-6-.
What are the key properties of 5-chloro-2-methyl-3-[(Z)-4-methylhex-2-en-3-yl]pyridine?
5-chloro-2-methyl-3-[(Z)-4-methylhex-2-en-3-yl]pyridine has a molecular weight of 223.75 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methyl-3-[(Z)-4-methylhex-2-en-3-yl]pyridine is sourced from PubChem (CID 146393573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).