2H-pyridin-3-ylidenemethanamine

C6H8N2 — CID 67496117

IUPAC2H-pyridin-3-ylidenemethanamine
SMILESNC=C1C=CC=NC1
InChIInChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-4H,5,7H2
InChIKeyCRJPADMTLBRIQY-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.47
Rot. Bonds

About 2H-pyridin-3-ylidenemethanamine

2H-pyridin-3-ylidenemethanamine (PubChem CID 67496117) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 2H-pyridin-3-ylidenemethanamine.

Molecular Properties

Compound Name2H-pyridin-3-ylidenemethanamine
PubChem CID67496117
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name2H-pyridin-3-ylidenemethanamine
SMILESNC=C1C=CC=NC1
InChIInChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-4H,5,7H2
InChIKeyCRJPADMTLBRIQY-UHFFFAOYSA-N
XLogP0.47
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.14
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2H-pyridin-3-ylidenemethanamine?
The IUPAC name of 2H-pyridin-3-ylidenemethanamine (CID 67496117) is 2H-pyridin-3-ylidenemethanamine.
What is the SMILES notation for 2H-pyridin-3-ylidenemethanamine?
The canonical SMILES for 2H-pyridin-3-ylidenemethanamine is NC=C1C=CC=NC1.
What is the InChIKey of 2H-pyridin-3-ylidenemethanamine?
The InChIKey is CRJPADMTLBRIQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c7-4-6-2-1-3-8-5-6/h1-4H,5,7H2.
What are the key properties of 2H-pyridin-3-ylidenemethanamine?
2H-pyridin-3-ylidenemethanamine has a molecular weight of 108.14 g/mol, XLogP of 0.47, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2H-pyridin-3-ylidenemethanamine is sourced from PubChem (CID 67496117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).