3-[1-[2-(2-chloro-5-iodophenyl)ethyl]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine

C25H23ClINO — CID 158990066

IUPAC3-[1-[2-(2-chloro-5-iodophenyl)ethyl]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine
SMILESClc1ccc(I)cc1CCC1(c2cnccc2-c2ccccc2OC2CC2)CC1
InChIInChI=1S/C25H23ClINO/c26-23-8-5-18(27)15-17(23)9-11-25(12-13-25)22-16-28-14-10-20(22)21-3-1-2-4-24(21)29-19-6-7-19/h1-5,8,10,14-16,19H,6-7,9,11-13H2
InChIKeyJGEIRYAXGIZIJD-UHFFFAOYSA-N
MW515.82 g/mol
LogP7.21
Rot. Bonds7

About 3-[1-[2-(2-chloro-5-iodophenyl)ethyl]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine

3-[1-[2-(2-chloro-5-iodophenyl)ethyl]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine (PubChem CID 158990066) has the molecular formula C25H23ClINO and a molecular weight of 515.82 g/mol. Its IUPAC name is 3-[1-[2-(2-chloro-5-iodophenyl)ethyl]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine.

Molecular Properties

Compound Name3-[1-[2-(2-chloro-5-iodophenyl)ethyl]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine
PubChem CID158990066
Molecular FormulaC25H23ClINO
Molecular Weight515.82 g/mol
Exact Mass515.05
IUPAC Name3-[1-[2-(2-chloro-5-iodophenyl)ethyl]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine
SMILESClc1ccc(I)cc1CCC1(c2cnccc2-c2ccccc2OC2CC2)CC1
InChIInChI=1S/C25H23ClINO/c26-23-8-5-18(27)15-17(23)9-11-25(12-13-25)22-16-28-14-10-20(22)21-3-1-2-4-24(21)29-19-6-7-19/h1-5,8,10,14-16,19H,6-7,9,11-13H2
InChIKeyJGEIRYAXGIZIJD-UHFFFAOYSA-N
XLogP7.21
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.82
LogP ≤ 57.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[1-[(2-chloro-5-iodophenyl)methoxy]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine
CID 129242437
(2R,9S,10R,11R,12R)-2-[4-chloro-3-[2-[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]ethyl]phenyl]-9,10,11,12,13-pentahydroxytridecan-6-one
CID 157244901
1-[2-[2-[4-chloro-3-[2-[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]ethyl]phenyl]sulfanylethoxy]ethyl]-3-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]urea
CID 149091314
2-[1-[[4-chloro-3-[2-[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]ethyl]phenyl]sulfanylmethyl]cyclopropyl]-N-methyl-N-[(2S,3R,4R,5R)-2,3,4,5,6-pentahydroxyhexyl]acetamide
CID 159929984
(2S,3S,4R,5S)-N-[5-[4-chloro-3-[2-[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]ethyl]phenyl]hexyl]-2,3,4,5,6-pentahydroxy-N-(2-methylsulfonylethyl)hexanamide
CID 158891543
(2S,3S,4R,5S)-N-[3-[4-chloro-3-[2-[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]ethyl]phenyl]sulfanylpropyl]-2,3,4,5,6-pentahydroxy-N-(5-methylsulfonylpentyl)hexanamide
CID 160843302
4-chloro-3-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]-N-methylbenzenesulfonamide
CID 129241618
N-[4-chloro-3-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]-2-sulfonylacetamide
CID 142748339
N-[4-chloro-3-[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]oxymethyl]phenyl]sulfonylacetamide
CID 129242374
4-chloro-5-[2-[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]ethyl]-2-fluoro-N-methyl-N-[(8S,9R,10S,11R)-9,10,11,12-tetrahydroxy-8-(hydroxymethyl)-6-oxododecyl]benzenesulfonamide
CID 162029335
N-[[5-chloro-2-(trifluoromethyl)phenyl]methyl]-1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropan-1-amine
CID 129242050
2-[4-chloro-3-[[[1-[4-(2-cyclopropyloxyphenyl)-3-pyridinyl]cyclopropyl]amino]methyl]phenyl]hexan-1-ol
CID 129257766

Frequently Asked Questions

What is the IUPAC name of 3-[1-[2-(2-chloro-5-iodophenyl)ethyl]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine?
The IUPAC name of 3-[1-[2-(2-chloro-5-iodophenyl)ethyl]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine (CID 158990066) is 3-[1-[2-(2-chloro-5-iodophenyl)ethyl]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine.
What is the SMILES notation for 3-[1-[2-(2-chloro-5-iodophenyl)ethyl]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine?
The canonical SMILES for 3-[1-[2-(2-chloro-5-iodophenyl)ethyl]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine is Clc1ccc(I)cc1CCC1(c2cnccc2-c2ccccc2OC2CC2)CC1.
What is the InChIKey of 3-[1-[2-(2-chloro-5-iodophenyl)ethyl]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine?
The InChIKey is JGEIRYAXGIZIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClINO/c26-23-8-5-18(27)15-17(23)9-11-25(12-13-25)22-16-28-14-10-20(22)21-3-1-2-4-24(21)29-19-6-7-19/h1-5,8,10,14-16,19H,6-7,9,11-13H2.
What are the key properties of 3-[1-[2-(2-chloro-5-iodophenyl)ethyl]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine?
3-[1-[2-(2-chloro-5-iodophenyl)ethyl]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine has a molecular weight of 515.82 g/mol, XLogP of 7.21, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[2-(2-chloro-5-iodophenyl)ethyl]cyclopropyl]-4-(2-cyclopropyloxyphenyl)pyridine is sourced from PubChem (CID 158990066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).