4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid

C8H7F3N2O3 — CID 118811808

IUPAC4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESCc1c(C(=O)O)ncc(OC(F)(F)F)c1N
InChIInChI=1S/C8H7F3N2O3/c1-3-5(12)4(16-8(9,10)11)2-13-6(3)7(14)15/h2H,1H3,(H2,12,13)(H,14,15)
InChIKeyMKYOAVRHNVVBMB-UHFFFAOYSA-N
MW236.15 g/mol
LogP1.57
Rot. Bonds2

About 4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid

4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid (PubChem CID 118811808) has the molecular formula C8H7F3N2O3 and a molecular weight of 236.15 g/mol. Its IUPAC name is 4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid
PubChem CID118811808
Molecular FormulaC8H7F3N2O3
Molecular Weight236.15 g/mol
Exact Mass236.04
IUPAC Name4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid
SMILESCc1c(C(=O)O)ncc(OC(F)(F)F)c1N
InChIInChI=1S/C8H7F3N2O3/c1-3-5(12)4(16-8(9,10)11)2-13-6(3)7(14)15/h2H,1H3,(H2,12,13)(H,14,15)
InChIKeyMKYOAVRHNVVBMB-UHFFFAOYSA-N
XLogP1.57
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.15
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 4-amino-3-(fluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 133087391
2-iodo-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 130113015
methyl 3-hydroxy-4-methyl-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134679830
2-amino-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118997560
4-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118805459
2-[4-amino-3-fluoro-5-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 118812154
3-(chloromethyl)-4-fluoro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134658890
2-(difluoromethyl)-3-methyl-5-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118854325
4-(difluoromethyl)-3-iodo-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118828504
2-(aminomethyl)-4-methyl-5-(trifluoromethoxy)pyridin-3-amine
CID 133086262
4-fluoro-3-nitro-5-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 118799511
3-methoxy-5-methyl-4-(trifluoromethoxy)pyridine-2-carboxylic acid
CID 134665085

Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid (CID 118811808) is 4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid is Cc1c(C(=O)O)ncc(OC(F)(F)F)c1N.
What is the InChIKey of 4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
The InChIKey is MKYOAVRHNVVBMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F3N2O3/c1-3-5(12)4(16-8(9,10)11)2-13-6(3)7(14)15/h2H,1H3,(H2,12,13)(H,14,15).
What are the key properties of 4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid?
4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid has a molecular weight of 236.15 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-5-(trifluoromethoxy)pyridine-2-carboxylic acid is sourced from PubChem (CID 118811808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).