4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile

C13H10FN3 — CID 63887670

IUPAC4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNc2ccc(F)cc2)ccn1
InChIInChI=1S/C13H10FN3/c14-11-1-3-12(4-2-11)17-9-10-5-6-16-13(7-10)8-15/h1-7,17H,9H2
InChIKeyYSUFHWOGAQIMBI-UHFFFAOYSA-N
MW227.24 g/mol
LogP2.70
Rot. Bonds3

About 4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile

4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile (PubChem CID 63887670) has the molecular formula C13H10FN3 and a molecular weight of 227.24 g/mol. Its IUPAC name is 4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile
PubChem CID63887670
Molecular FormulaC13H10FN3
Molecular Weight227.24 g/mol
Exact Mass227.09
IUPAC Name4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNc2ccc(F)cc2)ccn1
InChIInChI=1S/C13H10FN3/c14-11-1-3-12(4-2-11)17-9-10-5-6-16-13(7-10)8-15/h1-7,17H,9H2
InChIKeyYSUFHWOGAQIMBI-UHFFFAOYSA-N
XLogP2.70
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 63881092
4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
CID 63882858
4-[(4-methylsulfanylanilino)methyl]pyridine-2-carbonitrile
CID 63888074
4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 113285870
4-[(4-butylanilino)methyl]pyridine-2-carbonitrile
CID 63880716
4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63881509
4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile
CID 107644287
4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile
CID 66352811
4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile
CID 103826035
4-[(3-fluoro-2-methylanilino)methyl]pyridine-2-carbonitrile
CID 63881344
4-[(3-bromo-5-methylanilino)methyl]pyridine-2-carbonitrile
CID 104937835
4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile
CID 82818817

Frequently Asked Questions

What is the IUPAC name of 4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile (CID 63887670) is 4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile is N#Cc1cc(CNc2ccc(F)cc2)ccn1.
What is the InChIKey of 4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile?
The InChIKey is YSUFHWOGAQIMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FN3/c14-11-1-3-12(4-2-11)17-9-10-5-6-16-13(7-10)8-15/h1-7,17H,9H2.
What are the key properties of 4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile?
4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile has a molecular weight of 227.24 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 63887670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).