2-azido-4,5-dichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile

C13H5Cl2F3N6 — CID 21233909

IUPAC2-azido-4,5-dichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
SMILESN#Cc1c(N=[N+]=[N-])nc(Nc2ccc(C(F)(F)F)cc2)c(Cl)c1Cl
InChIInChI=1S/C13H5Cl2F3N6/c14-9-8(5-19)11(23-24-20)22-12(10(9)15)21-7-3-1-6(2-4-7)13(16,17)18/h1-4H,(H,21,22)
InChIKeyLAPNEPBZJIESLH-UHFFFAOYSA-N
MW373.13 g/mol
LogP5.96
Rot. Bonds3

About 2-azido-4,5-dichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile

2-azido-4,5-dichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile (PubChem CID 21233909) has the molecular formula C13H5Cl2F3N6 and a molecular weight of 373.13 g/mol. Its IUPAC name is 2-azido-4,5-dichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-azido-4,5-dichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
PubChem CID21233909
Molecular FormulaC13H5Cl2F3N6
Molecular Weight373.13 g/mol
Exact Mass371.99
IUPAC Name2-azido-4,5-dichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
SMILESN#Cc1c(N=[N+]=[N-])nc(Nc2ccc(C(F)(F)F)cc2)c(Cl)c1Cl
InChIInChI=1S/C13H5Cl2F3N6/c14-9-8(5-19)11(23-24-20)22-12(10(9)15)21-7-3-1-6(2-4-7)13(16,17)18/h1-4H,(H,21,22)
InChIKeyLAPNEPBZJIESLH-UHFFFAOYSA-N
XLogP5.96
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.13
LogP ≤ 55.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

2,4,5-trichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 21234722
2-azido-4,5-dichloro-6-(3-hydroxyanilino)pyridine-3-carbonitrile
CID 21233911
2-azido-4,5-dichloro-6-(2-hydroxyanilino)pyridine-3-carbonitrile
CID 21233910
5,6-dimethyl-3-[4-(trifluoromethyl)anilino]pyridazine-4-carbonitrile
CID 61096636
2,4,5-trichloro-6-[2-chloro-4-(trifluoromethyl)anilino]benzene-1,3-dicarbonitrile
CID 89304215
2-N,4-N,6-N-tris[4-(trifluoromethyl)phenyl]-1,3,5-triazine-2,4,6-triamine
CID 154659659
2-anilino-3,5,6-trichloropyridine-4-carbonitrile
CID 13057542
2-chloro-N-[4-(trifluoromethyl)phenyl]-7H-purin-6-amine
CID 104787085
2-amino-5-[[2-chloro-5-(trifluoromethyl)phenyl]diazenyl]-4-methyl-6-[3-(trifluoromethyl)anilino]pyridine-3-carbonitrile
CID 88556395
2-azido-5-[4-(trifluoromethyl)phenyl]benzonitrile
CID 59293548
2-chloro-N-[4-(trifluoromethyl)phenyl]quinazolin-4-amine
CID 22692746
3-amino-6-[4-(trifluoromethyl)anilino]pyridine-2-carbonitrile
CID 103467409

Frequently Asked Questions

What is the IUPAC name of 2-azido-4,5-dichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
The IUPAC name of 2-azido-4,5-dichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile (CID 21233909) is 2-azido-4,5-dichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-azido-4,5-dichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
The canonical SMILES for 2-azido-4,5-dichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile is N#Cc1c(N=[N+]=[N-])nc(Nc2ccc(C(F)(F)F)cc2)c(Cl)c1Cl.
What is the InChIKey of 2-azido-4,5-dichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
The InChIKey is LAPNEPBZJIESLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5Cl2F3N6/c14-9-8(5-19)11(23-24-20)22-12(10(9)15)21-7-3-1-6(2-4-7)13(16,17)18/h1-4H,(H,21,22).
What are the key properties of 2-azido-4,5-dichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile?
2-azido-4,5-dichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile has a molecular weight of 373.13 g/mol, XLogP of 5.96, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-4,5-dichloro-6-[4-(trifluoromethyl)anilino]pyridine-3-carbonitrile is sourced from PubChem (CID 21233909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).