2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

C15H17Cl2NO2 — CID 11174458

IUPAC2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)OCCc1ccccn1
InChIInChI=1S/C15H17Cl2NO2/c1-15(2)11(9-12(16)17)13(15)14(19)20-8-6-10-5-3-4-7-18-10/h3-5,7,9,11,13H,6,8H2,1-2H3
InChIKeyLELHFOWBPAGCIC-UHFFFAOYSA-N
MW314.21 g/mol
LogP3.76
Rot. Bonds5

About 2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 11174458) has the molecular formula C15H17Cl2NO2 and a molecular weight of 314.21 g/mol. Its IUPAC name is 2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID11174458
Molecular FormulaC15H17Cl2NO2
Molecular Weight314.21 g/mol
Exact Mass313.06
IUPAC Name2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)OCCc1ccccn1
InChIInChI=1S/C15H17Cl2NO2/c1-15(2)11(9-12(16)17)13(15)14(19)20-8-6-10-5-3-4-7-18-10/h3-5,7,9,11,13H,6,8H2,1-2H3
InChIKeyLELHFOWBPAGCIC-UHFFFAOYSA-N
XLogP3.76
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.21
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-chloro-3-pyridinyl)propyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 11279945
2-(2-chloro-3-pyridinyl)ethyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
CID 11174286
3-pyridin-2-ylpropyl 2,2,3,3-tetramethylcyclopropane-1-carboxylate
CID 11161308
trans-ethyl (1R,3R)-3-[(Z)-2-chloro-2-phenylethenyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 12881554
cis-(1S,3S)-2,2-dimethyl-3-(2-methylprop-1-enyl)-N-(pyridin-2-ylmethyl)cyclopropane-1-carboxamide
CID 927580
2-pyridin-2-ylethyl 2-sulfanylacetate
CID 71772265
trans-methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 7023133
trans-(2,6-difluoro-3-phenylphenyl)methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88691520
(2,4-difluorophenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88762582
trans-[3-(3-fluorophenyl)phenyl]methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88757633
2-pyridin-2-ylethyl 2-aminobenzoate
CID 61323549
2-pyridin-2-ylethoxymethanedithioate
CID 175683293

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of 2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 11174458) is 2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for 2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for 2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate is CC1(C)C(C=C(Cl)Cl)C1C(=O)OCCc1ccccn1.
What is the InChIKey of 2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is LELHFOWBPAGCIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17Cl2NO2/c1-15(2)11(9-12(16)17)13(15)14(19)20-8-6-10-5-3-4-7-18-10/h3-5,7,9,11,13H,6,8H2,1-2H3.
What are the key properties of 2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 314.21 g/mol, XLogP of 3.76, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-2-ylethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 11174458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).