5-chloro-3-prop-1-enyl-2-pyridin-3-ylpyridine

C13H11ClN2 — CID 175455696

IUPAC5-chloro-3-prop-1-enyl-2-pyridin-3-ylpyridine
SMILESCC=Cc1cc(Cl)cnc1-c1cccnc1
InChIInChI=1S/C13H11ClN2/c1-2-4-10-7-12(14)9-16-13(10)11-5-3-6-15-8-11/h2-9H,1H3
InChIKeyOVBBKEYCHUVVQF-UHFFFAOYSA-N
MW230.70 g/mol
LogP3.83
Rot. Bonds2

About 5-chloro-3-prop-1-enyl-2-pyridin-3-ylpyridine

5-chloro-3-prop-1-enyl-2-pyridin-3-ylpyridine (PubChem CID 175455696) has the molecular formula C13H11ClN2 and a molecular weight of 230.70 g/mol. Its IUPAC name is 5-chloro-3-prop-1-enyl-2-pyridin-3-ylpyridine.

Molecular Properties

Compound Name5-chloro-3-prop-1-enyl-2-pyridin-3-ylpyridine
PubChem CID175455696
Molecular FormulaC13H11ClN2
Molecular Weight230.70 g/mol
Exact Mass230.06
IUPAC Name5-chloro-3-prop-1-enyl-2-pyridin-3-ylpyridine
SMILESCC=Cc1cc(Cl)cnc1-c1cccnc1
InChIInChI=1S/C13H11ClN2/c1-2-4-10-7-12(14)9-16-13(10)11-5-3-6-15-8-11/h2-9H,1H3
InChIKeyOVBBKEYCHUVVQF-UHFFFAOYSA-N
XLogP3.83
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-chloro-3-nitro-2-pyridin-3-ylpyridine
CID 46315358
2-(5-methyl-6-phenyl-3-pyridinyl)-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine
CID 118352530
3-chloro-4-pyridin-3-yl-1,2,5-thiadiazole;pyridine
CID 160628601
2-bromo-3-methyl-5-[3-(2-phenylethenyl)-5-pyridin-3-yl-2-pyridinyl]pyridine
CID 140777525
6-chloro-2-pyridin-3-yl-[1,3]oxazolo[5,4-b]pyridine
CID 82337706
5-fluoro-2,3-dipyridin-3-ylpyridine
CID 46316529
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046
2-chloro-3-[(E)-2-phenylethenyl]-5-pyridin-3-ylpyridine
CID 166736635
3-[(E)-hex-4-enoxy]-4-pyridin-3-yl-1,2,5-thiadiazole
CID 19075354
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
5-methyl-2-pyridin-3-ylpyridine-3-carboxylic acid
CID 83917075
1,4-dichloro-2-prop-1-enylbenzene
CID 70502505

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-prop-1-enyl-2-pyridin-3-ylpyridine?
The IUPAC name of 5-chloro-3-prop-1-enyl-2-pyridin-3-ylpyridine (CID 175455696) is 5-chloro-3-prop-1-enyl-2-pyridin-3-ylpyridine.
What is the SMILES notation for 5-chloro-3-prop-1-enyl-2-pyridin-3-ylpyridine?
The canonical SMILES for 5-chloro-3-prop-1-enyl-2-pyridin-3-ylpyridine is CC=Cc1cc(Cl)cnc1-c1cccnc1.
What is the InChIKey of 5-chloro-3-prop-1-enyl-2-pyridin-3-ylpyridine?
The InChIKey is OVBBKEYCHUVVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN2/c1-2-4-10-7-12(14)9-16-13(10)11-5-3-6-15-8-11/h2-9H,1H3.
What are the key properties of 5-chloro-3-prop-1-enyl-2-pyridin-3-ylpyridine?
5-chloro-3-prop-1-enyl-2-pyridin-3-ylpyridine has a molecular weight of 230.70 g/mol, XLogP of 3.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-3-prop-1-enyl-2-pyridin-3-ylpyridine is sourced from PubChem (CID 175455696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).