4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile

C13H8F3N3O — CID 135372726

IUPAC4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)20-11-3-1-10(2-4-11)19-12-5-6-18-8-9(12)7-17/h1-6,8H,(H,18,19)
InChIKeyAHDPGFRJXSABHM-UHFFFAOYSA-N
MW279.22 g/mol
LogP3.60
Rot. Bonds3

About 4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile

4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile (PubChem CID 135372726) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile
PubChem CID135372726
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile
SMILESN#Cc1cnccc1Nc1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)20-11-3-1-10(2-4-11)19-12-5-6-18-8-9(12)7-17/h1-6,8H,(H,18,19)
InChIKeyAHDPGFRJXSABHM-UHFFFAOYSA-N
XLogP3.60
TPSA57.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(trifluoromethoxy)-N-[4-(trifluoromethoxy)phenyl]aniline
CID 87491792
N-[4-[(3-cyano-4-pyridinyl)amino]phenyl]cyclopropanecarboxamide
CID 100618809
N-[4-[chloro(difluoro)methoxy]phenyl]-5-[(3-cyano-4-pyridinyl)amino]-6-[(3R)-3-hydroxypyrrolidin-1-yl]pyridine-3-carboxamide
CID 175698727
4-[(3-bromo-4-pyridinyl)amino]-2-(trifluoromethyl)benzonitrile
CID 104778505
5-iodo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-2-amine
CID 116648818
3-chloro-N-[4-(trifluoromethoxy)phenyl]pyridine-4-carbothioamide
CID 87274125
N-[4-(trifluoromethoxy)phenyl]pyridine-4-carboxamide
CID 2711308
5-N-[4-(trifluoromethoxy)phenyl]pyridine-3,5-diamine
CID 104532253
4-methyl-2-[3-(trifluoromethoxy)anilino]benzonitrile
CID 63510416
2-[[5-[4-(trifluoromethoxy)anilino]-1,3,4-thiadiazol-2-yl]sulfanylmethyl]benzonitrile
CID 7571659
5-bromo-N-[4-(trifluoromethoxy)phenyl]pyrimidin-4-amine
CID 66342350
N-fluoro-4-(trifluoromethoxy)aniline
CID 142989818

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile?
The IUPAC name of 4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile (CID 135372726) is 4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile?
The canonical SMILES for 4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile is N#Cc1cnccc1Nc1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile?
The InChIKey is AHDPGFRJXSABHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-13(15,16)20-11-3-1-10(2-4-11)19-12-5-6-18-8-9(12)7-17/h1-6,8H,(H,18,19).
What are the key properties of 4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile?
4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile has a molecular weight of 279.22 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethoxy)anilino]pyridine-3-carbonitrile is sourced from PubChem (CID 135372726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).