2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine

C12H14ClN — CID 155741523

IUPAC2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine
SMILESC=C(Cl)c1ncccc1C(=C)C(C)C
InChIInChI=1S/C12H14ClN/c1-8(2)9(3)11-6-5-7-14-12(11)10(4)13/h5-8H,3-4H2,1-2H3
InChIKeyAUQBMOOQWXTUHF-UHFFFAOYSA-N
MW207.70 g/mol
LogP3.96
Rot. Bonds3

About 2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine

2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine (PubChem CID 155741523) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine.

Molecular Properties

Compound Name2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine
PubChem CID155741523
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine
SMILESC=C(Cl)c1ncccc1C(=C)C(C)C
InChIInChI=1S/C12H14ClN/c1-8(2)9(3)11-6-5-7-14-12(11)10(4)13/h5-8H,3-4H2,1-2H3
InChIKeyAUQBMOOQWXTUHF-UHFFFAOYSA-N
XLogP3.96
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine
CID 86191725
dipropan-2-yl pyridine-2,3-dicarboxylate
CID 14745930
2-methyl-1-(2-propan-2-yl-3-pyridinyl)propan-1-one
CID 176935005
1-(3-ethyl-2-pyridinyl)-2-methylpropan-1-one
CID 82730826
3-ethenyl-4-(3-methylbut-1-en-2-yl)pyridin-2-amine
CID 170948479
2-propan-2-yloxycarbonylpyridine-3-carboxylic acid
CID 20750066
2-(1-chloroethenyl)-5-(1-chloroethyl)-3-ethenyl-6-(2-methyl-3-pyridinyl)pyridine
CID 145483409
2-(3-chlorobut-2-en-2-yl)-3-methylpyridine
CID 123781383
2-methylpyridine-3-carbonyl chloride;hydrochloride
CID 18321920
2-chloropyridine-3-carbonyl chloride;ethane
CID 91362446
pyridine-2,3-dicarboxylic acid
CID 1066
2-(3-carbonochloridoyl-2-pyridinyl)pyridine-3-carbonyl chloride
CID 86185812

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine?
The IUPAC name of 2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine (CID 155741523) is 2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine.
What is the SMILES notation for 2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine?
The canonical SMILES for 2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine is C=C(Cl)c1ncccc1C(=C)C(C)C.
What is the InChIKey of 2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine?
The InChIKey is AUQBMOOQWXTUHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN/c1-8(2)9(3)11-6-5-7-14-12(11)10(4)13/h5-8H,3-4H2,1-2H3.
What are the key properties of 2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine?
2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine has a molecular weight of 207.70 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethenyl)-3-(3-methylbut-1-en-2-yl)pyridine is sourced from PubChem (CID 155741523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).