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

C11H14Cl2N2 — CID 45262543

IUPAC2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine;hydrochloride
SMILESCN1CC=C(c2ccc(Cl)nc2)CC1.Cl
InChIInChI=1S/C11H13ClN2.ClH/c1-14-6-4-9(5-7-14)10-2-3-11(12)13-8-10;/h2-4,8H,5-7H2,1H3;1H
InChIKeyLMIPONWUEQDPGT-UHFFFAOYSA-N
MW245.15 g/mol
LogP2.88
Rot. Bonds1

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

2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine;hydrochloride (PubChem CID 45262543) has the molecular formula C11H14Cl2N2 and a molecular weight of 245.15 g/mol. Its IUPAC name is 2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine;hydrochloride.

Molecular Properties

Compound Name2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine;hydrochloride
PubChem CID45262543
Molecular FormulaC11H14Cl2N2
Molecular Weight245.15 g/mol
Exact Mass244.05
IUPAC Name2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine;hydrochloride
SMILESCN1CC=C(c2ccc(Cl)nc2)CC1.Cl
InChIInChI=1S/C11H13ClN2.ClH/c1-14-6-4-9(5-7-14)10-2-3-11(12)13-8-10;/h2-4,8H,5-7H2,1H3;1H
InChIKeyLMIPONWUEQDPGT-UHFFFAOYSA-N
XLogP2.88
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.15
LogP ≤ 52.88
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-4-yl)pyridine;hydrochloride?
The IUPAC name of 2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine;hydrochloride (CID 45262543) is 2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine;hydrochloride.
What is the SMILES notation for 2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine;hydrochloride?
The canonical SMILES for 2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine;hydrochloride is CN1CC=C(c2ccc(Cl)nc2)CC1.Cl.
What is the InChIKey of 2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine;hydrochloride?
The InChIKey is LMIPONWUEQDPGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2.ClH/c1-14-6-4-9(5-7-14)10-2-3-11(12)13-8-10;/h2-4,8H,5-7H2,1H3;1H.
What are the key properties of 2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine;hydrochloride?
2-chloro-5-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyridine;hydrochloride has a molecular weight of 245.15 g/mol, XLogP of 2.88, 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-4-yl)pyridine;hydrochloride is sourced from PubChem (CID 45262543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).