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

C9H6F3N3O3 — CID 118998425

IUPAC2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
SMILESN#Cc1cnc(N)c(CC(=O)O)c1OC(F)(F)F
InChIInChI=1S/C9H6F3N3O3/c10-9(11,12)18-7-4(2-13)3-15-8(14)5(7)1-6(16)17/h3H,1H2,(H2,14,15)(H,16,17)
InChIKeyQTMLJJQGTACEEP-UHFFFAOYSA-N
MW261.16 g/mol
LogP1.06
Rot. Bonds3

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

2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid (PubChem CID 118998425) has the molecular formula C9H6F3N3O3 and a molecular weight of 261.16 g/mol. Its IUPAC name is 2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid.

Molecular Properties

Compound Name2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
PubChem CID118998425
Molecular FormulaC9H6F3N3O3
Molecular Weight261.16 g/mol
Exact Mass261.04
IUPAC Name2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
SMILESN#Cc1cnc(N)c(CC(=O)O)c1OC(F)(F)F
InChIInChI=1S/C9H6F3N3O3/c10-9(11,12)18-7-4(2-13)3-15-8(14)5(7)1-6(16)17/h3H,1H2,(H2,14,15)(H,16,17)
InChIKeyQTMLJJQGTACEEP-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-5-cyano-3-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118812212
2-[5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 133095484
2-[3-cyano-6-ethyl-2-(trifluoromethoxy)phenyl]acetic acid
CID 135743047
6-amino-5-methyl-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 119000736
6-amino-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carbonitrile
CID 119021778
5-(aminomethyl)-6-bromo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131463632
2-[2-amino-5-cyano-3-(difluoromethyl)-4-pyridinyl]acetic acid
CID 119023577
2-[5-amino-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 133087681
6-amino-4-methyl-5-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131630348
5-amino-6-(hydroxymethyl)-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131600848
2-[5-amino-2-(fluoromethyl)-3-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 133087425
5-amino-6-iodo-4-(trifluoromethoxy)pyridine-3-carbonitrile
CID 131624819

Frequently Asked Questions

What is the IUPAC name of 2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The IUPAC name of 2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid (CID 118998425) is 2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid.
What is the SMILES notation for 2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The canonical SMILES for 2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid is N#Cc1cnc(N)c(CC(=O)O)c1OC(F)(F)F.
What is the InChIKey of 2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid?
The InChIKey is QTMLJJQGTACEEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6F3N3O3/c10-9(11,12)18-7-4(2-13)3-15-8(14)5(7)1-6(16)17/h3H,1H2,(H2,14,15)(H,16,17).
What are the key properties of 2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid?
2-[2-amino-5-cyano-4-(trifluoromethoxy)-3-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-[2-amino-5-cyano-4-(trifluoromethoxy)-3-pyridinyl]acetic acid is sourced from PubChem (CID 118998425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).