2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine

C14H16N4O2 — CID 158826135

IUPAC2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine
SMILESCOc1cc(C#N)ccn1.COc1cc(CN)ccn1
InChIInChI=1S/C7H10N2O.C7H6N2O/c2*1-10-7-4-6(5-8)2-3-9-7/h2-4H,5,8H2,1H3;2-4H,1H3
InChIKeyIWMCGYGDVKAZPL-UHFFFAOYSA-N
MW272.31 g/mol
LogP1.51
Rot. Bonds3

About 2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine

2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine (PubChem CID 158826135) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine.

Molecular Properties

Compound Name2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine
PubChem CID158826135
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine
SMILESCOc1cc(C#N)ccn1.COc1cc(CN)ccn1
InChIInChI=1S/C7H10N2O.C7H6N2O/c2*1-10-7-4-6(5-8)2-3-9-7/h2-4H,5,8H2,1H3;2-4H,1H3
InChIKeyIWMCGYGDVKAZPL-UHFFFAOYSA-N
XLogP1.51
TPSA94.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine?
The IUPAC name of 2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine (CID 158826135) is 2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine.
What is the SMILES notation for 2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine?
The canonical SMILES for 2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine is COc1cc(C#N)ccn1.COc1cc(CN)ccn1.
What is the InChIKey of 2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine?
The InChIKey is IWMCGYGDVKAZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O.C7H6N2O/c2*1-10-7-4-6(5-8)2-3-9-7/h2-4H,5,8H2,1H3;2-4H,1H3.
What are the key properties of 2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine?
2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine has a molecular weight of 272.31 g/mol, XLogP of 1.51, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypyridine-4-carbonitrile;(2-methoxy-4-pyridinyl)methanamine is sourced from PubChem (CID 158826135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).