4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile

C14H11F2N3 — CID 82818817

IUPAC4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile
SMILESCc1ccc(F)c(NCc2ccnc(C#N)c2)c1F
InChIInChI=1S/C14H11F2N3/c1-9-2-3-12(15)14(13(9)16)19-8-10-4-5-18-11(6-10)7-17/h2-6,19H,8H2,1H3
InChIKeyZRUWSOXPNYBPDM-UHFFFAOYSA-N
MW259.26 g/mol
LogP3.15
Rot. Bonds3

About 4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile

4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile (PubChem CID 82818817) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile
PubChem CID82818817
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile
SMILESCc1ccc(F)c(NCc2ccnc(C#N)c2)c1F
InChIInChI=1S/C14H11F2N3/c1-9-2-3-12(15)14(13(9)16)19-8-10-4-5-18-11(6-10)7-17/h2-6,19H,8H2,1H3
InChIKeyZRUWSOXPNYBPDM-UHFFFAOYSA-N
XLogP3.15
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2,3,5,6-tetrafluoroanilino)methyl]pyridine-2-carbonitrile
CID 107644287
4-(2,6-difluoro-3-methylanilino)pyridine-2-carbonitrile
CID 82818029
4-[(3-fluoro-2-methylanilino)methyl]pyridine-2-carbonitrile
CID 63881344
4-[(4-methylanilino)methyl]pyridine-2-carbonitrile
CID 63882858
4-[(4-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 63887670
4-[[(4-methylpyrimidin-2-yl)amino]methyl]pyridine-2-carbonitrile
CID 134244020
4-[(2,6-dichloroanilino)methyl]pyridine-2-carbonitrile
CID 65469773
4-[(3-chloro-5-fluoroanilino)methyl]pyridine-2-carbonitrile
CID 113285870
4-[(4-methylsulfanylanilino)methyl]pyridine-2-carbonitrile
CID 63888074
4-[(3-methylpentan-3-ylamino)methyl]pyridine-2-carbonitrile
CID 103829289
N-[(3-bromo-4-fluorophenyl)methyl]-2,6-difluoro-3-methylaniline
CID 82818051
4-[(3-bromo-5-methylanilino)methyl]pyridine-2-carbonitrile
CID 104937835

Frequently Asked Questions

What is the IUPAC name of 4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile (CID 82818817) is 4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile is Cc1ccc(F)c(NCc2ccnc(C#N)c2)c1F.
What is the InChIKey of 4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile?
The InChIKey is ZRUWSOXPNYBPDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c1-9-2-3-12(15)14(13(9)16)19-8-10-4-5-18-11(6-10)7-17/h2-6,19H,8H2,1H3.
What are the key properties of 4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile?
4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile has a molecular weight of 259.26 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,6-difluoro-3-methylanilino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 82818817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).