2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid

C9H6F3N3O3 — CID 133095290

IUPAC2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESN#Cc1c(OC(F)(F)F)cnc(CC(=O)O)c1N
InChIInChI=1S/C9H6F3N3O3/c10-9(11,12)18-6-3-15-5(1-7(16)17)8(14)4(6)2-13/h3H,1,14H2,(H,16,17)
InChIKeyVRFJDYHUECBPLG-UHFFFAOYSA-N
MW261.16 g/mol
LogP1.06
Rot. Bonds3

About 2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid

2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid (PubChem CID 133095290) has the molecular formula C9H6F3N3O3 and a molecular weight of 261.16 g/mol. Its IUPAC name is 2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
PubChem CID133095290
Molecular FormulaC9H6F3N3O3
Molecular Weight261.16 g/mol
Exact Mass261.04
IUPAC Name2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
SMILESN#Cc1c(OC(F)(F)F)cnc(CC(=O)O)c1N
InChIInChI=1S/C9H6F3N3O3/c10-9(11,12)18-6-3-15-5(1-7(16)17)8(14)4(6)2-13/h3H,1,14H2,(H,16,17)
InChIKeyVRFJDYHUECBPLG-UHFFFAOYSA-N
XLogP1.06
TPSA109.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.16
LogP ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-amino-3-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118810865
2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118812154
2-[4-amino-5-cyano-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118812212
3-amino-2-nitro-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 133095287
2-[3-hydroxy-5-(trifluoromethoxy)-4-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 134678704
2-[4-fluoro-5-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]acetic acid
CID 118839013
2-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-4-carbonitrile
CID 119004128
2-(aminomethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 118836746
2-[2-amino-6-cyano-5-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133094812
2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 118998425
methyl 2-amino-3-cyano-5-(trifluoromethoxy)pyridine-4-carboxylate
CID 133096925
2-amino-4-cyano-5-(trifluoromethoxy)pyridine-3-sulfonyl chloride
CID 131468991

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The IUPAC name of 2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid (CID 133095290) is 2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid.
What is the SMILES notation for 2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The canonical SMILES for 2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid is N#Cc1c(OC(F)(F)F)cnc(CC(=O)O)c1N.
What is the InChIKey of 2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
The InChIKey is VRFJDYHUECBPLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O3/c10-9(11,12)18-6-3-15-5(1-7(16)17)8(14)4(6)2-13/h3H,1,14H2,(H,16,17).
What are the key properties of 2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid?
2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid has a molecular weight of 261.16 g/mol, XLogP of 1.06, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-4-cyano-5-(trifluoromethoxy)-2-pyridinyl]acetic acid is sourced from PubChem (CID 133095290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).