3-[(E)-2-chloroprop-1-enyl]-5-cyclopropyl-2-methylpyridine

C12H14ClN — CID 139524308

IUPAC3-[(E)-2-chloroprop-1-enyl]-5-cyclopropyl-2-methylpyridine
SMILESC/C(Cl)=C\c1cc(C2CC2)cnc1C
InChIInChI=1S/C12H14ClN/c1-8(13)5-11-6-12(10-3-4-10)7-14-9(11)2/h5-7,10H,3-4H2,1-2H3/b8-5+
InChIKeyBBEMWAKTDNVAKC-VMPITWQZSA-N
MW207.70 g/mol
LogP3.87
Rot. Bonds2

About 3-[(E)-2-chloroprop-1-enyl]-5-cyclopropyl-2-methylpyridine

3-[(E)-2-chloroprop-1-enyl]-5-cyclopropyl-2-methylpyridine (PubChem CID 139524308) has the molecular formula C12H14ClN and a molecular weight of 207.70 g/mol. Its IUPAC name is 3-[(E)-2-chloroprop-1-enyl]-5-cyclopropyl-2-methylpyridine.

Molecular Properties

Compound Name3-[(E)-2-chloroprop-1-enyl]-5-cyclopropyl-2-methylpyridine
PubChem CID139524308
Molecular FormulaC12H14ClN
Molecular Weight207.70 g/mol
Exact Mass207.08
IUPAC Name3-[(E)-2-chloroprop-1-enyl]-5-cyclopropyl-2-methylpyridine
SMILESC/C(Cl)=C\c1cc(C2CC2)cnc1C
InChIInChI=1S/C12H14ClN/c1-8(13)5-11-6-12(10-3-4-10)7-14-9(11)2/h5-7,10H,3-4H2,1-2H3/b8-5+
InChIKeyBBEMWAKTDNVAKC-VMPITWQZSA-N
XLogP3.87
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.70
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(5-cyclopropyl-2-methyl-3-pyridinyl)propan-2-one
CID 139524310
5-(4-formylcyclohexyl)-2-methylpyridine-3-carboxamide
CID 174674045
3-fluoro-2-methyl-5-(3-methylcyclopentyl)pyridine
CID 170760959
5-cyclopentyl-3-fluoro-2-methylpyridine;ethane
CID 170761559
2-[(Z)-but-2-en-2-yl]-5-cyclopropylpyrimidine
CID 178072479
5-[4-(hydroxymethyl)cyclohexyl]-2-methylpyridine-3-carboxamide
CID 174662247
2,3-dimethyl-5-(1-methylpiperidin-4-yl)pyridine
CID 158714513
2-[2-(5-cyclopropyl-2-methyl-3-pyridinyl)cyclopropyl]-3,5,6-trimethylpyridine
CID 138464539
(E)-3-(2-amino-5-cyclopropyl-3-pyridinyl)prop-2-enamide
CID 165131519
2,3-dibromo-5-cyclopropylpyridine
CID 130053485
2-[5-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-1-methylimidazol-2-yl]-5-cyclopropyl-3-ethylsulfonylpyridine
CID 166728806
5-cyclopropyl-2-cyclopropyloxy-3-methylpyridine
CID 167079716

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-chloroprop-1-enyl]-5-cyclopropyl-2-methylpyridine?
The IUPAC name of 3-[(E)-2-chloroprop-1-enyl]-5-cyclopropyl-2-methylpyridine (CID 139524308) is 3-[(E)-2-chloroprop-1-enyl]-5-cyclopropyl-2-methylpyridine.
What is the SMILES notation for 3-[(E)-2-chloroprop-1-enyl]-5-cyclopropyl-2-methylpyridine?
The canonical SMILES for 3-[(E)-2-chloroprop-1-enyl]-5-cyclopropyl-2-methylpyridine is C/C(Cl)=C\c1cc(C2CC2)cnc1C.
What is the InChIKey of 3-[(E)-2-chloroprop-1-enyl]-5-cyclopropyl-2-methylpyridine?
The InChIKey is BBEMWAKTDNVAKC-VMPITWQZSA-N. The full InChI is InChI=1S/C12H14ClN/c1-8(13)5-11-6-12(10-3-4-10)7-14-9(11)2/h5-7,10H,3-4H2,1-2H3/b8-5+.
What are the key properties of 3-[(E)-2-chloroprop-1-enyl]-5-cyclopropyl-2-methylpyridine?
3-[(E)-2-chloroprop-1-enyl]-5-cyclopropyl-2-methylpyridine has a molecular weight of 207.70 g/mol, XLogP of 3.87, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-chloroprop-1-enyl]-5-cyclopropyl-2-methylpyridine is sourced from PubChem (CID 139524308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).