3H-pyridin-4-ylidenemethanamine

C6H8N2 — CID 70072770

IUPAC3H-pyridin-4-ylidenemethanamine
SMILESNC=C1C=CN=CC1
InChIInChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1,3-5H,2,7H2
InChIKeyTXPMYHCVQHLJIS-UHFFFAOYSA-N
MW108.14 g/mol
LogP0.82
Rot. Bonds

About 3H-pyridin-4-ylidenemethanamine

3H-pyridin-4-ylidenemethanamine (PubChem CID 70072770) has the molecular formula C6H8N2 and a molecular weight of 108.14 g/mol. Its IUPAC name is 3H-pyridin-4-ylidenemethanamine.

Molecular Properties

Compound Name3H-pyridin-4-ylidenemethanamine
PubChem CID70072770
Molecular FormulaC6H8N2
Molecular Weight108.14 g/mol
Exact Mass108.07
IUPAC Name3H-pyridin-4-ylidenemethanamine
SMILESNC=C1C=CN=CC1
InChIInChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1,3-5H,2,7H2
InChIKeyTXPMYHCVQHLJIS-UHFFFAOYSA-N
XLogP0.82
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 ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3H-pyridin-4-ylidenemethanamine?
The IUPAC name of 3H-pyridin-4-ylidenemethanamine (CID 70072770) is 3H-pyridin-4-ylidenemethanamine.
What is the SMILES notation for 3H-pyridin-4-ylidenemethanamine?
The canonical SMILES for 3H-pyridin-4-ylidenemethanamine is NC=C1C=CN=CC1.
What is the InChIKey of 3H-pyridin-4-ylidenemethanamine?
The InChIKey is TXPMYHCVQHLJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2/c7-5-6-1-3-8-4-2-6/h1,3-5H,2,7H2.
What are the key properties of 3H-pyridin-4-ylidenemethanamine?
3H-pyridin-4-ylidenemethanamine has a molecular weight of 108.14 g/mol, XLogP of 0.82, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3H-pyridin-4-ylidenemethanamine is sourced from PubChem (CID 70072770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).