6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile

C13H10FN3 — CID 114254817

IUPAC6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile
SMILESCc1cccc(Nc2cccc(C#N)n2)c1F
InChIInChI=1S/C13H10FN3/c1-9-4-2-6-11(13(9)14)17-12-7-3-5-10(8-15)16-12/h2-7H,1H3,(H,16,17)
InChIKeyZMGQECXHJZZBSI-UHFFFAOYSA-N
MW227.24 g/mol
LogP3.14
Rot. Bonds2

About 6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile

6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile (PubChem CID 114254817) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile
PubChem CID114254817
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile
SMILESCc1cccc(Nc2cccc(C#N)n2)c1F
InChIInChI=1S/C13H10FN3/c1-9-4-2-6-11(13(9)14)17-12-7-3-5-10(8-15)16-12/h2-7H,1H3,(H,16,17)
InChIKeyZMGQECXHJZZBSI-UHFFFAOYSA-N
XLogP3.14
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-(4-fluoro-2-methylanilino)pyridine-2-carbonitrile
CID 64595666
6-(5-chloro-2-fluoroanilino)pyridine-2-carbonitrile
CID 64595678
6-(2,5-dichloro-4-methylanilino)pyridine-2-carbonitrile
CID 104727199
6-(naphthalen-1-ylamino)pyridine-2-carbonitrile
CID 64590026
6-(2-cyano-4-fluoroanilino)pyridine-2-carbonitrile
CID 82016345
6-(4-methylanilino)pyridine-2-carbonitrile
CID 64593514
6-(3,5-difluoroanilino)pyridine-2-carbonitrile
CID 64595862
6-(4-tert-butylanilino)pyridine-2-carbonitrile
CID 64588460
6-(3-iodo-4-methylanilino)pyridine-2-carbonitrile
CID 114257431
6-(pyrimidin-5-ylamino)pyridine-2-carbonitrile
CID 107588709
6-(4-bromo-2-chloroanilino)pyridine-2-carbonitrile
CID 64596070
6-[[2-methyl-1-(2-methylphenyl)propyl]amino]pyridine-2-carbonitrile
CID 133392527

Frequently Asked Questions

What is the IUPAC name of 6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile?
The IUPAC name of 6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile (CID 114254817) is 6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile.
What is the SMILES notation for 6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile?
The canonical SMILES for 6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile is Cc1cccc(Nc2cccc(C#N)n2)c1F.
What is the InChIKey of 6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile?
The InChIKey is ZMGQECXHJZZBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c1-9-4-2-6-11(13(9)14)17-12-7-3-5-10(8-15)16-12/h2-7H,1H3,(H,16,17).
What are the key properties of 6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile?
6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile has a molecular weight of 227.24 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-fluoro-3-methylanilino)pyridine-2-carbonitrile is sourced from PubChem (CID 114254817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).