methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate

C14H11F3N2O3 — CID 133086893

IUPACmethyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H11F3N2O3/c1-21-13(20)9-6-11(12(18)19-7-9)8-3-2-4-10(5-8)22-14(15,16)17/h2-7H,1H3,(H2,18,19)
InChIKeyCRBVVUGBSFXAQS-UHFFFAOYSA-N
MW312.25 g/mol
LogP3.02
Rot. Bonds3

About methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate

methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate (PubChem CID 133086893) has the molecular formula C14H11F3N2O3 and a molecular weight of 312.25 g/mol. Its IUPAC name is methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate
PubChem CID133086893
Molecular FormulaC14H11F3N2O3
Molecular Weight312.25 g/mol
Exact Mass312.07
IUPAC Namemethyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cnc(N)c(-c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C14H11F3N2O3/c1-21-13(20)9-6-11(12(18)19-7-9)8-3-2-4-10(5-8)22-14(15,16)17/h2-7H,1H3,(H2,18,19)
InChIKeyCRBVVUGBSFXAQS-UHFFFAOYSA-N
XLogP3.02
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.25
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 6-amino-5-[2-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635594
methyl 2,5-bis[3-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634030
[4-[6-amino-5-[3-(trifluoromethoxy)phenyl]-3-pyridinyl]phenyl]methanesulfinic acid
CID 174667644
methyl 3-fluoro-5-[3-(trifluoromethoxy)phenyl]benzoate
CID 75488260
6-methoxy-5-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086740
methyl 2-[3-(trifluoromethoxy)phenyl]-1H-imidazole-5-carboxylate
CID 107105199
5-[3-(trifluoromethoxy)phenyl]pyrimidine-2,4-diamine
CID 22326853
methyl 1-methyl-4-[3-(trifluoromethoxy)phenyl]pyrazole-3-carboxylate
CID 170457620
2,5-bis[3-(trifluoromethoxy)phenyl]pyridin-4-amine
CID 118828810
methyl 5-[3-(trifluoromethoxy)phenyl]-1,2-oxazole-3-carboxylate
CID 154791532
methyl 6-methoxy-5-phenylpyridine-3-carboxylate
CID 86104556
2-methyl-4-[3-(trifluoromethoxy)phenyl]pyridin-3-amine
CID 133086749

Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate (CID 133086893) is methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate is COC(=O)c1cnc(N)c(-c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate?
The InChIKey is CRBVVUGBSFXAQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O3/c1-21-13(20)9-6-11(12(18)19-7-9)8-3-2-4-10(5-8)22-14(15,16)17/h2-7H,1H3,(H2,18,19).
What are the key properties of methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate?
methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate has a molecular weight of 312.25 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-[3-(trifluoromethoxy)phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 133086893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).