4-anilino-2-methoxypyridine-3-carbonitrile

C13H11N3O — CID 657577

IUPAC4-anilino-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(Nc2ccccc2)c1C#N
InChIInChI=1S/C13H11N3O/c1-17-13-11(9-14)12(7-8-15-13)16-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)
InChIKeyNIROEMKUMMZZRN-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.71
Rot. Bonds3

About 4-anilino-2-methoxypyridine-3-carbonitrile

4-anilino-2-methoxypyridine-3-carbonitrile (PubChem CID 657577) has the molecular formula C13H11N3O and a molecular weight of 225.25 g/mol. Its IUPAC name is 4-anilino-2-methoxypyridine-3-carbonitrile.

Molecular Properties

Compound Name4-anilino-2-methoxypyridine-3-carbonitrile
PubChem CID657577
Molecular FormulaC13H11N3O
Molecular Weight225.25 g/mol
Exact Mass225.09
IUPAC Name4-anilino-2-methoxypyridine-3-carbonitrile
SMILESCOc1nccc(Nc2ccccc2)c1C#N
InChIInChI=1S/C13H11N3O/c1-17-13-11(9-14)12(7-8-15-13)16-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16)
InChIKeyNIROEMKUMMZZRN-UHFFFAOYSA-N
XLogP2.71
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-anilino-2-methoxypyridine-3-carbonitrile?
The IUPAC name of 4-anilino-2-methoxypyridine-3-carbonitrile (CID 657577) is 4-anilino-2-methoxypyridine-3-carbonitrile.
What is the SMILES notation for 4-anilino-2-methoxypyridine-3-carbonitrile?
The canonical SMILES for 4-anilino-2-methoxypyridine-3-carbonitrile is COc1nccc(Nc2ccccc2)c1C#N.
What is the InChIKey of 4-anilino-2-methoxypyridine-3-carbonitrile?
The InChIKey is NIROEMKUMMZZRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O/c1-17-13-11(9-14)12(7-8-15-13)16-10-5-3-2-4-6-10/h2-8H,1H3,(H,15,16).
What are the key properties of 4-anilino-2-methoxypyridine-3-carbonitrile?
4-anilino-2-methoxypyridine-3-carbonitrile has a molecular weight of 225.25 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-anilino-2-methoxypyridine-3-carbonitrile is sourced from PubChem (CID 657577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).