methyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate

C9H9F3N2O4 — CID 134665509

IUPACmethyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC(F)(F)F)cc(CN)c1O
InChIInChI=1S/C9H9F3N2O4/c1-17-8(16)6-7(15)4(3-13)2-5(14-6)18-9(10,11)12/h2,15H,3,13H2,1H3
InChIKeyMAEVTYOKXTYHNV-UHFFFAOYSA-N
MW266.17 g/mol
LogP0.93
Rot. Bonds3

About methyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate

methyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 134665509) has the molecular formula C9H9F3N2O4 and a molecular weight of 266.17 g/mol. Its IUPAC name is methyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID134665509
Molecular FormulaC9H9F3N2O4
Molecular Weight266.17 g/mol
Exact Mass266.05
IUPAC Namemethyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC(F)(F)F)cc(CN)c1O
InChIInChI=1S/C9H9F3N2O4/c1-17-8(16)6-7(15)4(3-13)2-5(14-6)18-9(10,11)12/h2,15H,3,13H2,1H3
InChIKeyMAEVTYOKXTYHNV-UHFFFAOYSA-N
XLogP0.93
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.17
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-(bromomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134678483
methyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134672737
methyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668325
ethyl 4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134676389
methyl 3-(aminomethyl)-6-methoxy-5-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668833
methyl 6-amino-3-(aminomethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 133085924
methyl 4-(aminomethyl)-5-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668130
[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118807357
2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 119009677
ethyl 4-(difluoromethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660628
methyl 5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 133085417
2-[4-(aminomethyl)-3-iodo-6-(trifluoromethoxy)-2-pyridinyl]acetic acid
CID 134679833

Frequently Asked Questions

What is the IUPAC name of methyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate (CID 134665509) is methyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate is COC(=O)c1nc(OC(F)(F)F)cc(CN)c1O.
What is the InChIKey of methyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is MAEVTYOKXTYHNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F3N2O4/c1-17-8(16)6-7(15)4(3-13)2-5(14-6)18-9(10,11)12/h2,15H,3,13H2,1H3.
What are the key properties of methyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate?
methyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate has a molecular weight of 266.17 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 134665509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).