2-chloro-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine

C10H11ClN2 — CID 162524227

IUPAC2-chloro-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine
SMILESClc1ccc(C2CC=CCN2)cn1
InChIInChI=1S/C10H11ClN2/c11-10-5-4-8(7-13-10)9-3-1-2-6-12-9/h1-2,4-5,7,9,12H,3,6H2
InChIKeyWVTWZQUDRBZMSU-UHFFFAOYSA-N
MW194.67 g/mol
LogP2.33
Rot. Bonds1

About 2-chloro-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine

2-chloro-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine (PubChem CID 162524227) has the molecular formula C10H11ClN2 and a molecular weight of 194.67 g/mol. Its IUPAC name is 2-chloro-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine
PubChem CID162524227
Molecular FormulaC10H11ClN2
Molecular Weight194.67 g/mol
Exact Mass194.06
IUPAC Name2-chloro-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine
SMILESClc1ccc(C2CC=CCN2)cn1
InChIInChI=1S/C10H11ClN2/c11-10-5-4-8(7-13-10)9-3-1-2-6-12-9/h1-2,4-5,7,9,12H,3,6H2
InChIKeyWVTWZQUDRBZMSU-UHFFFAOYSA-N
XLogP2.33
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.67
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-chloro-5-[(2S)-piperidin-2-yl]pyridine;dihydrochloride
CID 164890613
2-chloro-5-[(2S)-piperidin-2-yl]pyridine;hydrochloride
CID 171194804
3-(6-chloro-3-pyridinyl)-1-methylpiperazine
CID 131537539
(1R,4R,6S)-6-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 10013301
(4R)-4-(6-chloro-3-pyridinyl)-1,3-oxazolidin-2-one
CID 131173186
(1S,4S,5S)-5-(6-chloro-3-pyridinyl)-2-azabicyclo[2.2.1]heptane
CID 10058912
2-(6-chloro-3-pyridinyl)-1,3,5,7-tetrazatricyclo[3.3.1.13,7]decane
CID 87516542
6-(6-chloro-3-pyridinyl)-2-azabicyclo[3.2.1]octane
CID 57485598
2-chloro-5-[(1R)-cyclohex-2-en-1-yl]pyridine
CID 94035152
9-(6-chloro-3-pyridinyl)-4-azabicyclo[5.3.1]undecane
CID 57485609
(1R,2S)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 10081807
(1S,2R,4R)-2-(6-chloro-3-pyridinyl)-7-azabicyclo[2.2.1]heptane
CID 11031065

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine?
The IUPAC name of 2-chloro-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine (CID 162524227) is 2-chloro-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine.
What is the SMILES notation for 2-chloro-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine?
The canonical SMILES for 2-chloro-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine is Clc1ccc(C2CC=CCN2)cn1.
What is the InChIKey of 2-chloro-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine?
The InChIKey is WVTWZQUDRBZMSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN2/c11-10-5-4-8(7-13-10)9-3-1-2-6-12-9/h1-2,4-5,7,9,12H,3,6H2.
What are the key properties of 2-chloro-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine?
2-chloro-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine has a molecular weight of 194.67 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(1,2,3,6-tetrahydropyridin-2-yl)pyridine is sourced from PubChem (CID 162524227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).