3-[1-[(Z)-1-(2,4-dichlorophenyl)prop-1-enyl]cyclopropyl]pyridine

C17H15Cl2N — CID 19817051

IUPAC3-[1-[(Z)-1-(2,4-dichlorophenyl)prop-1-enyl]cyclopropyl]pyridine
SMILESC/C=C(\c1ccc(Cl)cc1Cl)C1(c2cccnc2)CC1
InChIInChI=1S/C17H15Cl2N/c1-2-15(14-6-5-13(18)10-16(14)19)17(7-8-17)12-4-3-9-20-11-12/h2-6,9-11H,7-8H2,1H3/b15-2+
InChIKeyWTLZQZUZMJQMQH-RSSMCMFDSA-N
MW304.22 g/mol
LogP5.52
Rot. Bonds3

About 3-[1-[(Z)-1-(2,4-dichlorophenyl)prop-1-enyl]cyclopropyl]pyridine

3-[1-[(Z)-1-(2,4-dichlorophenyl)prop-1-enyl]cyclopropyl]pyridine (PubChem CID 19817051) has the molecular formula C17H15Cl2N and a molecular weight of 304.22 g/mol. Its IUPAC name is 3-[1-[(Z)-1-(2,4-dichlorophenyl)prop-1-enyl]cyclopropyl]pyridine.

Molecular Properties

Compound Name3-[1-[(Z)-1-(2,4-dichlorophenyl)prop-1-enyl]cyclopropyl]pyridine
PubChem CID19817051
Molecular FormulaC17H15Cl2N
Molecular Weight304.22 g/mol
Exact Mass303.06
IUPAC Name3-[1-[(Z)-1-(2,4-dichlorophenyl)prop-1-enyl]cyclopropyl]pyridine
SMILESC/C=C(\c1ccc(Cl)cc1Cl)C1(c2cccnc2)CC1
InChIInChI=1S/C17H15Cl2N/c1-2-15(14-6-5-13(18)10-16(14)19)17(7-8-17)12-4-3-9-20-11-12/h2-6,9-11H,7-8H2,1H3/b15-2+
InChIKeyWTLZQZUZMJQMQH-RSSMCMFDSA-N
XLogP5.52
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500304.22
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-[2-[1-(2,4-dichlorophenyl)ethyl]-1,3-dioxolan-2-yl]pyridine
CID 20504188
[(Z)-pyridin-3-ylmethylideneamino] 2,4-dichlorobenzoate
CID 42558521
3-[3-(2,4-dichlorophenyl)but-1-en-2-yl]pyridine
CID 19817057
ethane;3-(1-methylcyclobutyl)pyridine
CID 142353863
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046
3-[2-[2-(2,4-dichlorophenoxy)propyl]oxiran-2-yl]pyridine
CID 19817032
2,4-dichloro-N-[2-oxo-2-(1-pyridin-3-ylethylamino)ethyl]benzamide
CID 51193025
methyl 1-pyridin-3-ylcyclobutane-1-carboxylate
CID 116963934
N-[(Z)-1-(2,4-dichlorophenyl)propylideneamino]pyridine-3-carboxamide
CID 6073439
1-(2,4-dichlorophenyl)-2-[methyl(pyridin-3-ylmethyl)amino]propan-1-one
CID 62052399
2,4-dichloro-N-[4-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)-4-oxobutyl]-N-methylbenzenesulfonamide
CID 25008585
(2R,3S)-4,4,4-trichloro-1-(2,4-dichlorophenyl)-3-hydroxy-2-pyridin-3-ylbutan-1-one
CID 991918

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(Z)-1-(2,4-dichlorophenyl)prop-1-enyl]cyclopropyl]pyridine?
The IUPAC name of 3-[1-[(Z)-1-(2,4-dichlorophenyl)prop-1-enyl]cyclopropyl]pyridine (CID 19817051) is 3-[1-[(Z)-1-(2,4-dichlorophenyl)prop-1-enyl]cyclopropyl]pyridine.
What is the SMILES notation for 3-[1-[(Z)-1-(2,4-dichlorophenyl)prop-1-enyl]cyclopropyl]pyridine?
The canonical SMILES for 3-[1-[(Z)-1-(2,4-dichlorophenyl)prop-1-enyl]cyclopropyl]pyridine is C/C=C(\c1ccc(Cl)cc1Cl)C1(c2cccnc2)CC1.
What is the InChIKey of 3-[1-[(Z)-1-(2,4-dichlorophenyl)prop-1-enyl]cyclopropyl]pyridine?
The InChIKey is WTLZQZUZMJQMQH-RSSMCMFDSA-N. The full InChI is InChI=1S/C17H15Cl2N/c1-2-15(14-6-5-13(18)10-16(14)19)17(7-8-17)12-4-3-9-20-11-12/h2-6,9-11H,7-8H2,1H3/b15-2+.
What are the key properties of 3-[1-[(Z)-1-(2,4-dichlorophenyl)prop-1-enyl]cyclopropyl]pyridine?
3-[1-[(Z)-1-(2,4-dichlorophenyl)prop-1-enyl]cyclopropyl]pyridine has a molecular weight of 304.22 g/mol, XLogP of 5.52, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(Z)-1-(2,4-dichlorophenyl)prop-1-enyl]cyclopropyl]pyridine is sourced from PubChem (CID 19817051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).