3-methylidene-2-pyridin-2-yl-4H-pyridine;dihydrochloride

C11H12Cl2N2 — CID 175143127

IUPAC3-methylidene-2-pyridin-2-yl-4H-pyridine;dihydrochloride
SMILESC=C1CC=CN=C1c1ccccn1.Cl.Cl
InChIInChI=1S/C11H10N2.2ClH/c1-9-5-4-8-13-11(9)10-6-2-3-7-12-10;;/h2-4,6-8H,1,5H2;2*1H
InChIKeyRHNNUYAYSCQWTE-UHFFFAOYSA-N
MW243.14 g/mol
LogP3.19
Rot. Bonds1

About 3-methylidene-2-pyridin-2-yl-4H-pyridine;dihydrochloride

3-methylidene-2-pyridin-2-yl-4H-pyridine;dihydrochloride (PubChem CID 175143127) has the molecular formula C11H12Cl2N2 and a molecular weight of 243.14 g/mol. Its IUPAC name is 3-methylidene-2-pyridin-2-yl-4H-pyridine;dihydrochloride.

Molecular Properties

Compound Name3-methylidene-2-pyridin-2-yl-4H-pyridine;dihydrochloride
PubChem CID175143127
Molecular FormulaC11H12Cl2N2
Molecular Weight243.14 g/mol
Exact Mass242.04
IUPAC Name3-methylidene-2-pyridin-2-yl-4H-pyridine;dihydrochloride
SMILESC=C1CC=CN=C1c1ccccn1.Cl.Cl
InChIInChI=1S/C11H10N2.2ClH/c1-9-5-4-8-13-11(9)10-6-2-3-7-12-10;;/h2-4,6-8H,1,5H2;2*1H
InChIKeyRHNNUYAYSCQWTE-UHFFFAOYSA-N
XLogP3.19
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methylidene-2-pyridin-2-yl-4H-pyridine;dihydrochloride?
The IUPAC name of 3-methylidene-2-pyridin-2-yl-4H-pyridine;dihydrochloride (CID 175143127) is 3-methylidene-2-pyridin-2-yl-4H-pyridine;dihydrochloride.
What is the SMILES notation for 3-methylidene-2-pyridin-2-yl-4H-pyridine;dihydrochloride?
The canonical SMILES for 3-methylidene-2-pyridin-2-yl-4H-pyridine;dihydrochloride is C=C1CC=CN=C1c1ccccn1.Cl.Cl.
What is the InChIKey of 3-methylidene-2-pyridin-2-yl-4H-pyridine;dihydrochloride?
The InChIKey is RHNNUYAYSCQWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2.2ClH/c1-9-5-4-8-13-11(9)10-6-2-3-7-12-10;;/h2-4,6-8H,1,5H2;2*1H.
What are the key properties of 3-methylidene-2-pyridin-2-yl-4H-pyridine;dihydrochloride?
3-methylidene-2-pyridin-2-yl-4H-pyridine;dihydrochloride has a molecular weight of 243.14 g/mol, XLogP of 3.19, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylidene-2-pyridin-2-yl-4H-pyridine;dihydrochloride is sourced from PubChem (CID 175143127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).