6-imino-1-methylpyridine-3-carbonitrile

C7H7N3 — CID 18997365

IUPAC6-imino-1-methylpyridine-3-carbonitrile
SMILES[H]/N=c1\ccc(C#N)cn1C
InChIInChI=1S/C7H7N3/c1-10-5-6(4-8)2-3-7(10)9/h2-3,5,9H,1H3/b9-7+
InChIKeyADFARKBTWIGART-VQHVLOKHSA-N
MW133.15 g/mol
LogP0.38
Rot. Bonds

About 6-imino-1-methylpyridine-3-carbonitrile

6-imino-1-methylpyridine-3-carbonitrile (PubChem CID 18997365) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 6-imino-1-methylpyridine-3-carbonitrile.

Molecular Properties

Compound Name6-imino-1-methylpyridine-3-carbonitrile
PubChem CID18997365
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name6-imino-1-methylpyridine-3-carbonitrile
SMILES[H]/N=c1\ccc(C#N)cn1C
InChIInChI=1S/C7H7N3/c1-10-5-6(4-8)2-3-7(10)9/h2-3,5,9H,1H3/b9-7+
InChIKeyADFARKBTWIGART-VQHVLOKHSA-N
XLogP0.38
TPSA52.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.15
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-imino-1-methylpyridine-3-carbonitrile?
The IUPAC name of 6-imino-1-methylpyridine-3-carbonitrile (CID 18997365) is 6-imino-1-methylpyridine-3-carbonitrile.
What is the SMILES notation for 6-imino-1-methylpyridine-3-carbonitrile?
The canonical SMILES for 6-imino-1-methylpyridine-3-carbonitrile is [H]/N=c1\ccc(C#N)cn1C.
What is the InChIKey of 6-imino-1-methylpyridine-3-carbonitrile?
The InChIKey is ADFARKBTWIGART-VQHVLOKHSA-N. The full InChI is InChI=1S/C7H7N3/c1-10-5-6(4-8)2-3-7(10)9/h2-3,5,9H,1H3/b9-7+.
What are the key properties of 6-imino-1-methylpyridine-3-carbonitrile?
6-imino-1-methylpyridine-3-carbonitrile has a molecular weight of 133.15 g/mol, XLogP of 0.38, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-imino-1-methylpyridine-3-carbonitrile is sourced from PubChem (CID 18997365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).