5-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine

C11H13ClN2 — CID 138668016

IUPAC5-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine
SMILESCN1CC=C(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C11H13ClN2/c1-14-6-4-9(5-7-14)11-3-2-10(12)8-13-11/h2-4,8H,5-7H2,1H3
InChIKeyFXQYLVOGHVHWRU-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.45
Rot. Bonds1

About 5-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine

5-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine (PubChem CID 138668016) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 5-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine.

Molecular Properties

Compound Name5-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine
PubChem CID138668016
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name5-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine
SMILESCN1CC=C(c2ccc(Cl)cn2)CC1
InChIInChI=1S/C11H13ClN2/c1-14-6-4-9(5-7-14)11-3-2-10(12)8-13-11/h2-4,8H,5-7H2,1H3
InChIKeyFXQYLVOGHVHWRU-UHFFFAOYSA-N
XLogP2.45
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine?
The IUPAC name of 5-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine (CID 138668016) is 5-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine.
What is the SMILES notation for 5-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine?
The canonical SMILES for 5-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine is CN1CC=C(c2ccc(Cl)cn2)CC1.
What is the InChIKey of 5-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine?
The InChIKey is FXQYLVOGHVHWRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-14-6-4-9(5-7-14)11-3-2-10(12)8-13-11/h2-4,8H,5-7H2,1H3.
What are the key properties of 5-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine?
5-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine has a molecular weight of 208.69 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine is sourced from PubChem (CID 138668016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).