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

C11H13ClN2 — CID 175610084

IUPAC5-chloro-2-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine
SMILESCC1C=CCN(c2ccc(Cl)cn2)C1
InChIInChI=1S/C11H13ClN2/c1-9-3-2-6-14(8-9)11-5-4-10(12)7-13-11/h2-5,7,9H,6,8H2,1H3
InChIKeyKLYVXSBHAUNDMW-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.75
Rot. Bonds1

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

5-chloro-2-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine (PubChem CID 175610084) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 5-chloro-2-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine.

Molecular Properties

Compound Name5-chloro-2-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine
PubChem CID175610084
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name5-chloro-2-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine
SMILESCC1C=CCN(c2ccc(Cl)cn2)C1
InChIInChI=1S/C11H13ClN2/c1-9-3-2-6-14(8-9)11-5-4-10(12)7-13-11/h2-5,7,9H,6,8H2,1H3
InChIKeyKLYVXSBHAUNDMW-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-(2,5-dihydropyrrol-1-yl)pyridine
CID 172881511
5-chloro-2-(3,4-dimethylpiperidin-1-yl)pyridine
CID 115871255
1-(5-chloro-2-pyridinyl)-N-methylazetidin-3-amine
CID 135136650
(3S)-1-(5-chloro-2-pyridinyl)-3-methylpiperazine
CID 94450635
5-(5-chloro-2-pyridinyl)-2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185345
(3S,4S)-1-(5-chloro-2-pyridinyl)-4-methylpyrrolidine-3-carboxamide
CID 128980942
3-(5-chloro-2-pyridinyl)-3,9-diazabicyclo[3.3.1]nonane
CID 24752287
5-chloro-N-[1-(5-chloro-2-pyridinyl)piperidin-4-yl]-N-methylpyrimidin-2-amine
CID 163345660
5-chloro-2-(4,4-dimethylpiperidin-1-yl)pyridine
CID 66233669
5-chloro-2-(4-methoxypiperidin-1-yl)pyridine
CID 66233187
1-[1-(5-chloro-2-pyridinyl)azetidin-3-yl]pyrrolidine-2,5-dione
CID 121183872
4-(5-chloro-2-pyridinyl)-1,2,2-trimethylpiperazine
CID 66233004

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine?
The IUPAC name of 5-chloro-2-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine (CID 175610084) is 5-chloro-2-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine.
What is the SMILES notation for 5-chloro-2-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine?
The canonical SMILES for 5-chloro-2-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine is CC1C=CCN(c2ccc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-2-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine?
The InChIKey is KLYVXSBHAUNDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-9-3-2-6-14(8-9)11-5-4-10(12)7-13-11/h2-5,7,9H,6,8H2,1H3.
What are the key properties of 5-chloro-2-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine?
5-chloro-2-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine has a molecular weight of 208.69 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methyl-3,6-dihydro-2H-pyridin-1-yl)pyridine is sourced from PubChem (CID 175610084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).