4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile

C13H10FN3O — CID 62927039

IUPAC4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile
SMILESCOc1ccc(Nc2ccnc(C#N)c2)cc1F
InChIInChI=1S/C13H10FN3O/c1-18-13-3-2-9(7-12(13)14)17-10-4-5-16-11(6-10)8-15/h2-7H,1H3,(H,16,17)
InChIKeyHLAWTLMIPIDKIK-UHFFFAOYSA-N
MW243.24 g/mol
LogP2.84
Rot. Bonds3

About 4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile

4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile (PubChem CID 62927039) has the molecular formula C13H10FN3O and a molecular weight of 243.24 g/mol. Its IUPAC name is 4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile
PubChem CID62927039
Molecular FormulaC13H10FN3O
Molecular Weight243.24 g/mol
Exact Mass243.08
IUPAC Name4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile
SMILESCOc1ccc(Nc2ccnc(C#N)c2)cc1F
InChIInChI=1S/C13H10FN3O/c1-18-13-3-2-9(7-12(13)14)17-10-4-5-16-11(6-10)8-15/h2-7H,1H3,(H,16,17)
InChIKeyHLAWTLMIPIDKIK-UHFFFAOYSA-N
XLogP2.84
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.24
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile?
The IUPAC name of 4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile (CID 62927039) is 4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile?
The canonical SMILES for 4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile is COc1ccc(Nc2ccnc(C#N)c2)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile?
The InChIKey is HLAWTLMIPIDKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3O/c1-18-13-3-2-9(7-12(13)14)17-10-4-5-16-11(6-10)8-15/h2-7H,1H3,(H,16,17).
What are the key properties of 4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile?
4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile has a molecular weight of 243.24 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methoxyanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 62927039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).