3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile

C13H9F2N3 — CID 55128109

IUPAC3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNc1ccc(F)cc1F
InChIInChI=1S/C13H9F2N3/c14-10-3-4-12(11(15)6-10)18-8-9-2-1-5-17-13(9)7-16/h1-6,18H,8H2
InChIKeyKNDIJOIWPFQJJB-UHFFFAOYSA-N
MW245.23 g/mol
LogP2.84
Rot. Bonds3

About 3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile

3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile (PubChem CID 55128109) has the molecular formula C13H9F2N3 and a molecular weight of 245.23 g/mol. Its IUPAC name is 3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile
PubChem CID55128109
Molecular FormulaC13H9F2N3
Molecular Weight245.23 g/mol
Exact Mass245.08
IUPAC Name3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile
SMILESN#Cc1ncccc1CNc1ccc(F)cc1F
InChIInChI=1S/C13H9F2N3/c14-10-3-4-12(11(15)6-10)18-8-9-2-1-5-17-13(9)7-16/h1-6,18H,8H2
InChIKeyKNDIJOIWPFQJJB-UHFFFAOYSA-N
XLogP2.84
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.23
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(4-bromo-2,5-difluoroanilino)methyl]pyridine-2-carbonitrile
CID 107610894
3-[(2,3,4-trifluoroanilino)methyl]pyridine-2-carbonitrile
CID 62895867
3-[[2-(trifluoromethoxy)anilino]methyl]pyridine-2-carbonitrile
CID 62895868
3-[(2-ethoxyanilino)methyl]pyridine-2-carbonitrile
CID 55128443
3-[(4-cyano-2-methoxyanilino)methyl]pyridine-2-carbonitrile
CID 104848705
3-[(2,5-difluorophenyl)sulfinylmethyl]pyridine-2-carbonitrile
CID 64691744
3-[(4-cyanoanilino)methyl]pyridine-2-carbonitrile
CID 62894169
3-[[[(1R)-1-(3-fluorophenyl)ethyl]amino]methyl]pyridine-2-carbonitrile
CID 81364964
3-[[2-(2-fluorophenyl)ethylamino]methyl]pyridine-2-carbonitrile
CID 62895527
3-[(3-methylsulfanylanilino)methyl]pyridine-2-carbonitrile
CID 55128348
3-[(2-methylpropylamino)methyl]pyridine-2-carbonitrile
CID 62895521
3-[(4-fluorophenoxy)methyl]pyridine-2-carbonitrile
CID 10036717

Frequently Asked Questions

What is the IUPAC name of 3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile (CID 55128109) is 3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile is N#Cc1ncccc1CNc1ccc(F)cc1F.
What is the InChIKey of 3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile?
The InChIKey is KNDIJOIWPFQJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F2N3/c14-10-3-4-12(11(15)6-10)18-8-9-2-1-5-17-13(9)7-16/h1-6,18H,8H2.
What are the key properties of 3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile?
3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile has a molecular weight of 245.23 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,4-difluoroanilino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 55128109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).