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

C10H8F6N2O3 — CID 134672737

IUPACmethyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC(F)(F)F)cc(CN)c1C(F)(F)F
InChIInChI=1S/C10H8F6N2O3/c1-20-8(19)7-6(9(11,12)13)4(3-17)2-5(18-7)21-10(14,15)16/h2H,3,17H2,1H3
InChIKeyVLHUGZVREOBSIN-UHFFFAOYSA-N
MW318.17 g/mol
LogP2.24
Rot. Bonds3

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

methyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate (PubChem CID 134672737) has the molecular formula C10H8F6N2O3 and a molecular weight of 318.17 g/mol. Its IUPAC name is methyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate
PubChem CID134672737
Molecular FormulaC10H8F6N2O3
Molecular Weight318.17 g/mol
Exact Mass318.04
IUPAC Namemethyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC(F)(F)F)cc(CN)c1C(F)(F)F
InChIInChI=1S/C10H8F6N2O3/c1-20-8(19)7-6(9(11,12)13)4(3-17)2-5(18-7)21-10(14,15)16/h2H,3,17H2,1H3
InChIKeyVLHUGZVREOBSIN-UHFFFAOYSA-N
XLogP2.24
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665509
methyl 4-(aminomethyl)-6-(difluoromethyl)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 133084570
methyl 4-(bromomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134678483
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
[4-(aminomethyl)-3-methyl-6-(trifluoromethoxy)-2-pyridinyl]methanol
CID 118807357
2-amino-4-(aminomethyl)-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 119009677
methyl 5-(aminomethyl)-4-methyl-3-(trifluoromethoxy)pyridine-2-carboxylate
CID 133085417
methyl 2-[6-(aminomethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)-4-pyridinyl]acetate
CID 134671474
4-(aminomethyl)-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridin-3-amine
CID 133086394

Frequently Asked Questions

What is the IUPAC name of methyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate (CID 134672737) is methyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate is COC(=O)c1nc(OC(F)(F)F)cc(CN)c1C(F)(F)F.
What is the InChIKey of methyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate?
The InChIKey is VLHUGZVREOBSIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N2O3/c1-20-8(19)7-6(9(11,12)13)4(3-17)2-5(18-7)21-10(14,15)16/h2H,3,17H2,1H3.
What are the key properties of methyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate?
methyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate has a molecular weight of 318.17 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate is sourced from PubChem (CID 134672737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).