methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate

C14H11F3N2O2 — CID 134634074

IUPACmethyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(C(F)(F)F)c2)cnc1N
InChIInChI=1S/C14H11F3N2O2/c1-21-13(20)11-6-9(7-19-12(11)18)8-3-2-4-10(5-8)14(15,16)17/h2-7H,1H3,(H2,18,19)
InChIKeyZZOAUYZXDIDFIK-UHFFFAOYSA-N
MW296.25 g/mol
LogP3.14
Rot. Bonds2

About methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate

methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate (PubChem CID 134634074) has the molecular formula C14H11F3N2O2 and a molecular weight of 296.25 g/mol. Its IUPAC name is methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
PubChem CID134634074
Molecular FormulaC14H11F3N2O2
Molecular Weight296.25 g/mol
Exact Mass296.08
IUPAC Namemethyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
SMILESCOC(=O)c1cc(-c2cccc(C(F)(F)F)c2)cnc1N
InChIInChI=1S/C14H11F3N2O2/c1-21-13(20)11-6-9(7-19-12(11)18)8-3-2-4-10(5-8)14(15,16)17/h2-7H,1H3,(H2,18,19)
InChIKeyZZOAUYZXDIDFIK-UHFFFAOYSA-N
XLogP3.14
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.25
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-amino-5-[3,5-bis(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 169133865
methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 134635398
methyl 5-amino-2-[3-(trifluoromethyl)phenyl]pyridine-4-carboxylate
CID 134635397
ethane;methyl 2-amino-5-(trifluoromethyl)pyridine-3-carboxylate
CID 156850074
methyl 2-fluoro-5-[3-(trifluoromethyl)phenyl]benzoate
CID 75488127
3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 119002862
methyl 2-[3-(trifluoromethyl)phenyl]benzoate
CID 1393351
methyl 5-bromo-3-methylpyridine-2-carboxylate;methyl 3-methyl-5-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 158691953
methyl 4-[3-(trifluoromethyl)phenyl]benzoate
CID 1393419
methyl 2-methyl-6-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate
CID 69039624
methyl 3-[3-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634607
3-(2-methoxyphenyl)-5-[3-(trifluoromethyl)phenyl]pyridin-2-amine
CID 155555120

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The IUPAC name of methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate (CID 134634074) is methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate is COC(=O)c1cc(-c2cccc(C(F)(F)F)c2)cnc1N.
What is the InChIKey of methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
The InChIKey is ZZOAUYZXDIDFIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F3N2O2/c1-21-13(20)11-6-9(7-19-12(11)18)8-3-2-4-10(5-8)14(15,16)17/h2-7H,1H3,(H2,18,19).
What are the key properties of methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate?
methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate has a molecular weight of 296.25 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-[3-(trifluoromethyl)phenyl]pyridine-3-carboxylate is sourced from PubChem (CID 134634074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).