methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate

C14H10ClF3N2O3 — CID 22677364

IUPACmethyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2)cc(N)c1Cl
InChIInChI=1S/C14H10ClF3N2O3/c1-22-13(21)12-11(15)9(19)6-10(20-12)7-2-4-8(5-3-7)23-14(16,17)18/h2-6H,1H3,(H2,19,20)
InChIKeyHLWXWPRWHWTPEQ-UHFFFAOYSA-N
MW346.69 g/mol
LogP3.67
Rot. Bonds3

About methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate

methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate (PubChem CID 22677364) has the molecular formula C14H10ClF3N2O3 and a molecular weight of 346.69 g/mol. Its IUPAC name is methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
PubChem CID22677364
Molecular FormulaC14H10ClF3N2O3
Molecular Weight346.69 g/mol
Exact Mass346.03
IUPAC Namemethyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2)cc(N)c1Cl
InChIInChI=1S/C14H10ClF3N2O3/c1-22-13(21)12-11(15)9(19)6-10(20-12)7-2-4-8(5-3-7)23-14(16,17)18/h2-6H,1H3,(H2,19,20)
InChIKeyHLWXWPRWHWTPEQ-UHFFFAOYSA-N
XLogP3.67
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.69
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-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 3-amino-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate
CID 133086897
methyl 4-amino-6-[3,4-bis[fluoro(dihydroxy)methyl]phenyl]-3-chloropyridine-2-carboxylate
CID 68600822
methyl 4-amino-3-chloro-6-(6-chloro-3-pyridinyl)pyridine-2-carboxylate
CID 22677295
methyl 4-amino-3-chloro-6-(3,4-dimethylphenyl)pyridine-2-carboxylate
CID 22677522
methyl 2,6-bis[4-(trifluoromethoxy)phenyl]pyridine-4-carboxylate
CID 134634051
methyl 4-amino-3-chloro-6-(1H-indol-6-yl)pyridine-2-carboxylate
CID 90450989
methyl 4-amino-6-(1,3-benzodioxol-5-yl)-3-chloropyridine-2-carboxylate
CID 22677261
methyl 4-amino-3-chloro-6-[4-chloro-3-(methoxymethyl)phenyl]pyridine-2-carboxylate
CID 22677487
methyl 4-amino-3-chloro-6-(2-fluoro-4-iodophenyl)pyridine-2-carboxylate
CID 90440355
methyl 4-amino-3-chloro-6-(1-methylpyrazol-4-yl)pyridine-2-carboxylate
CID 22677253
methyl 4-amino-3-chloro-6-(2,4-dichloro-3-methylphenyl)pyridine-2-carboxylate
CID 68596195
methyl 6-[4-(trifluoromethoxy)phenyl]pyrazine-2-carboxylate
CID 167450862

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
The IUPAC name of methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate (CID 22677364) is methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
The canonical SMILES for methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate is COC(=O)c1nc(-c2ccc(OC(F)(F)F)cc2)cc(N)c1Cl.
What is the InChIKey of methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
The InChIKey is HLWXWPRWHWTPEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N2O3/c1-22-13(21)12-11(15)9(19)6-10(20-12)7-2-4-8(5-3-7)23-14(16,17)18/h2-6H,1H3,(H2,19,20).
What are the key properties of methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate?
methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate has a molecular weight of 346.69 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-3-chloro-6-[4-(trifluoromethoxy)phenyl]pyridine-2-carboxylate is sourced from PubChem (CID 22677364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).