4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile

C14H10F3N3O — CID 115468338

IUPAC4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OCc2cccc(N)n2)c(C(F)(F)F)c1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)11-6-9(7-18)4-5-12(11)21-8-10-2-1-3-13(19)20-10/h1-6H,8H2,(H2,19,20)
InChIKeyVMZMLNQLHHQNBN-UHFFFAOYSA-N
MW293.25 g/mol
LogP3.13
Rot. Bonds3

About 4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile

4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile (PubChem CID 115468338) has the molecular formula C14H10F3N3O and a molecular weight of 293.25 g/mol. Its IUPAC name is 4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile
PubChem CID115468338
Molecular FormulaC14H10F3N3O
Molecular Weight293.25 g/mol
Exact Mass293.08
IUPAC Name4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(OCc2cccc(N)n2)c(C(F)(F)F)c1
InChIInChI=1S/C14H10F3N3O/c15-14(16,17)11-6-9(7-18)4-5-12(11)21-8-10-2-1-3-13(19)20-10/h1-6H,8H2,(H2,19,20)
InChIKeyVMZMLNQLHHQNBN-UHFFFAOYSA-N
XLogP3.13
TPSA71.93 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.25
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(6-amino-2-pyridinyl)methoxy]-3-methoxybenzonitrile
CID 79239685
4-[(6-amino-2-pyridinyl)methoxy]benzonitrile
CID 79239436
4-[(4-hydroxyphenyl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467793
4-(4-sulfanylbutoxy)-3-(trifluoromethyl)benzonitrile
CID 115468395
4-(3-methylsulfonylpropoxy)-3-(trifluoromethyl)benzonitrile
CID 115467864
4-(3-aminophenoxy)-3-(trifluoromethyl)benzonitrile
CID 115467623
6-[(2-tert-butyl-4-ethylphenoxy)methyl]pyridin-2-amine
CID 79234211
4-[(4-methyl-1,2,5-oxadiazol-3-yl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467910
4-(2-bromoethoxy)-3-(trifluoromethyl)benzonitrile
CID 115467673
6-[4-cyano-2-(trifluoromethyl)phenoxy]pyridine-2-carbonitrile
CID 115467723
3-[(6-chloro-2-pyridinyl)methoxy]-4-methylbenzonitrile
CID 103760415
4-[(5-ethyl-1,3,4-oxadiazol-2-yl)methoxy]-3-(trifluoromethyl)benzonitrile
CID 115467823

Frequently Asked Questions

What is the IUPAC name of 4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile (CID 115468338) is 4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile is N#Cc1ccc(OCc2cccc(N)n2)c(C(F)(F)F)c1.
What is the InChIKey of 4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile?
The InChIKey is VMZMLNQLHHQNBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3O/c15-14(16,17)11-6-9(7-18)4-5-12(11)21-8-10-2-1-3-13(19)20-10/h1-6H,8H2,(H2,19,20).
What are the key properties of 4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile?
4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile has a molecular weight of 293.25 g/mol, XLogP of 3.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-amino-2-pyridinyl)methoxy]-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 115468338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).