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

C11H13ClN2 — CID 10639739

IUPAC2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pyridine
SMILESCN1CCC=C(c2ccc(Cl)nc2)C1
InChIInChI=1S/C11H13ClN2/c1-14-6-2-3-10(8-14)9-4-5-11(12)13-7-9/h3-5,7H,2,6,8H2,1H3
InChIKeyYWDRNTZRCJXPPD-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.45
Rot. Bonds1

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

2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pyridine (PubChem CID 10639739) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pyridine.

Molecular Properties

Compound Name2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pyridine
PubChem CID10639739
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pyridine
SMILESCN1CCC=C(c2ccc(Cl)nc2)C1
InChIInChI=1S/C11H13ClN2/c1-14-6-2-3-10(8-14)9-4-5-11(12)13-7-9/h3-5,7H,2,6,8H2,1H3
InChIKeyYWDRNTZRCJXPPD-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

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pyridine?
The IUPAC name of 2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pyridine (CID 10639739) is 2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pyridine.
What is the SMILES notation for 2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pyridine?
The canonical SMILES for 2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pyridine is CN1CCC=C(c2ccc(Cl)nc2)C1.
What is the InChIKey of 2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pyridine?
The InChIKey is YWDRNTZRCJXPPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2/c1-14-6-2-3-10(8-14)9-4-5-11(12)13-7-9/h3-5,7H,2,6,8H2,1H3.
What are the key properties of 2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pyridine?
2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-5-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 2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-5-yl)pyridine is sourced from PubChem (CID 10639739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).