4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile

C13H9ClFN3 — CID 113285870

IUPAC4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNc2cc(F)cc(Cl)c2)ccn1
InChIInChI=1S/C13H9ClFN3/c14-10-4-11(15)6-12(5-10)18-8-9-1-2-17-13(3-9)7-16/h1-6,18H,8H2
InChIKeyFOFMMTGCBWBGHT-UHFFFAOYSA-N
MW261.69 g/mol
LogP3.36
Rot. Bonds3

About 4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile

4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile (PubChem CID 113285870) has the molecular formula C13H9ClFN3 and a molecular weight of 261.69 g/mol. Its IUPAC name is 4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile
PubChem CID113285870
Molecular FormulaC13H9ClFN3
Molecular Weight261.69 g/mol
Exact Mass261.05
IUPAC Name4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1cc(CNc2cc(F)cc(Cl)c2)ccn1
InChIInChI=1S/C13H9ClFN3/c14-10-4-11(15)6-12(5-10)18-8-9-1-2-17-13(3-9)7-16/h1-6,18H,8H2
InChIKeyFOFMMTGCBWBGHT-UHFFFAOYSA-N
XLogP3.36
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.69
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 63887670
4-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 63881092
4-[(4-bromo-3-chloroanilino)methyl]pyridine-2-carbonitrile
CID 103826035
4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
CID 63882858
4-[(4-methylsulfanylanilino)methyl]pyridine-2-carbonitrile
CID 63888074
4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile
CID 65469773
4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile
CID 107644287
4-[(3-bromo-5-methylanilino)methyl]pyridine-2-carbonitrile
CID 104937835
3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 103773172
4-[(thiophen-3-ylamino)methyl]pyridine-2-carbonitrile
CID 66352811
4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile
CID 82818817
4-[(naphthalen-2-ylamino)methyl]pyridine-2-carbonitrile
CID 63881509

Frequently Asked Questions

What is the IUPAC name of 4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile (CID 113285870) is 4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile is N#Cc1cc(CNc2cc(F)cc(Cl)c2)ccn1.
What is the InChIKey of 4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile?
The InChIKey is FOFMMTGCBWBGHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFN3/c14-10-4-11(15)6-12(5-10)18-8-9-1-2-17-13(3-9)7-16/h1-6,18H,8H2.
What are the key properties of 4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile?
4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile has a molecular weight of 261.69 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 113285870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).