5-amino-2-methylpyridine-4-carbonitrile

C7H7N3 — CID 82593829

IUPAC5-amino-2-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)c(N)cn1
InChIInChI=1S/C7H7N3/c1-5-2-6(3-8)7(9)4-10-5/h2,4H,9H2,1H3
InChIKeyNYRZENPALCQSTM-UHFFFAOYSA-N
MW133.15 g/mol
LogP0.84
Rot. Bonds

About 5-amino-2-methylpyridine-4-carbonitrile

5-amino-2-methylpyridine-4-carbonitrile (PubChem CID 82593829) has the molecular formula C7H7N3 and a molecular weight of 133.15 g/mol. Its IUPAC name is 5-amino-2-methylpyridine-4-carbonitrile.

Molecular Properties

Compound Name5-amino-2-methylpyridine-4-carbonitrile
PubChem CID82593829
Molecular FormulaC7H7N3
Molecular Weight133.15 g/mol
Exact Mass133.06
IUPAC Name5-amino-2-methylpyridine-4-carbonitrile
SMILESCc1cc(C#N)c(N)cn1
InChIInChI=1S/C7H7N3/c1-5-2-6(3-8)7(9)4-10-5/h2,4H,9H2,1H3
InChIKeyNYRZENPALCQSTM-UHFFFAOYSA-N
XLogP0.84
TPSA62.70 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 ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methylpyridine-4-carbonitrile?
The IUPAC name of 5-amino-2-methylpyridine-4-carbonitrile (CID 82593829) is 5-amino-2-methylpyridine-4-carbonitrile.
What is the SMILES notation for 5-amino-2-methylpyridine-4-carbonitrile?
The canonical SMILES for 5-amino-2-methylpyridine-4-carbonitrile is Cc1cc(C#N)c(N)cn1.
What is the InChIKey of 5-amino-2-methylpyridine-4-carbonitrile?
The InChIKey is NYRZENPALCQSTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3/c1-5-2-6(3-8)7(9)4-10-5/h2,4H,9H2,1H3.
What are the key properties of 5-amino-2-methylpyridine-4-carbonitrile?
5-amino-2-methylpyridine-4-carbonitrile has a molecular weight of 133.15 g/mol, XLogP of 0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methylpyridine-4-carbonitrile is sourced from PubChem (CID 82593829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).