2-(3-chlorobut-2-en-2-yl)-3-methylpyridine

C10H12ClN — CID 123781383

IUPAC2-(3-chlorobut-2-en-2-yl)-3-methylpyridine
SMILESCC(Cl)=C(C)c1ncccc1C
InChIInChI=1S/C10H12ClN/c1-7-5-4-6-12-10(7)8(2)9(3)11/h4-6H,1-3H3
InChIKeyZSVHALBROWBDOE-UHFFFAOYSA-N
MW181.67 g/mol
LogP3.38
Rot. Bonds1

About 2-(3-chlorobut-2-en-2-yl)-3-methylpyridine

2-(3-chlorobut-2-en-2-yl)-3-methylpyridine (PubChem CID 123781383) has the molecular formula C10H12ClN and a molecular weight of 181.67 g/mol. Its IUPAC name is 2-(3-chlorobut-2-en-2-yl)-3-methylpyridine.

Molecular Properties

Compound Name2-(3-chlorobut-2-en-2-yl)-3-methylpyridine
PubChem CID123781383
Molecular FormulaC10H12ClN
Molecular Weight181.67 g/mol
Exact Mass181.07
IUPAC Name2-(3-chlorobut-2-en-2-yl)-3-methylpyridine
SMILESCC(Cl)=C(C)c1ncccc1C
InChIInChI=1S/C10H12ClN/c1-7-5-4-6-12-10(7)8(2)9(3)11/h4-6H,1-3H3
InChIKeyZSVHALBROWBDOE-UHFFFAOYSA-N
XLogP3.38
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.67
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methyl-2-pyridinyl)ethanimine
CID 91362757
3-methylpyridine-2-carboxylic acid;oxygen(2-);vanadium(4+)
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O-methyl 3-methylpyridine-2-carbothioate
CID 139794295
2-(3-methyl-2-pyridinyl)-2-oxoacetaldehyde
CID 130026238
N'-amino-3-methylpyridine-2-carboximidamide
CID 69377303
ethane;methyl 3-methylpyridine-2-carboxylate
CID 166536861
2-bromo-1-(3-methyl-2-pyridinyl)propan-1-one
CID 71428247
(3-hydroxyazetidin-1-yl)-(3-methyl-2-pyridinyl)methanone
CID 63106422
2-hydroxyimino-2-(3-methyl-2-pyridinyl)acetic acid
CID 173058335
(1E,3Z)-2-(3-methyl-2-pyridinyl)penta-1,3-dien-1-amine
CID 166830053
ethyl 2-(3-methyl-2-pyridinyl)-2-oxoacetate
CID 53419388
N-(1-aminoethyl)-3-methylpyridine-2-carboxamide
CID 173067121

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorobut-2-en-2-yl)-3-methylpyridine?
The IUPAC name of 2-(3-chlorobut-2-en-2-yl)-3-methylpyridine (CID 123781383) is 2-(3-chlorobut-2-en-2-yl)-3-methylpyridine.
What is the SMILES notation for 2-(3-chlorobut-2-en-2-yl)-3-methylpyridine?
The canonical SMILES for 2-(3-chlorobut-2-en-2-yl)-3-methylpyridine is CC(Cl)=C(C)c1ncccc1C.
What is the InChIKey of 2-(3-chlorobut-2-en-2-yl)-3-methylpyridine?
The InChIKey is ZSVHALBROWBDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN/c1-7-5-4-6-12-10(7)8(2)9(3)11/h4-6H,1-3H3.
What are the key properties of 2-(3-chlorobut-2-en-2-yl)-3-methylpyridine?
2-(3-chlorobut-2-en-2-yl)-3-methylpyridine has a molecular weight of 181.67 g/mol, XLogP of 3.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorobut-2-en-2-yl)-3-methylpyridine is sourced from PubChem (CID 123781383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).