methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate

C10H9F5N2O3 — CID 134683021

IUPACmethyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(CN)c(OC(F)(F)F)nc1C(F)F
InChIInChI=1S/C10H9F5N2O3/c1-19-9(18)5-2-4(3-16)8(20-10(13,14)15)17-6(5)7(11)12/h2,7H,3,16H2,1H3
InChIKeyOASRJIUIOUJPNV-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.16
Rot. Bonds4

About methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate

methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 134683021) has the molecular formula C10H9F5N2O3 and a molecular weight of 300.18 g/mol. Its IUPAC name is methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID134683021
Molecular FormulaC10H9F5N2O3
Molecular Weight300.18 g/mol
Exact Mass300.05
IUPAC Namemethyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1cc(CN)c(OC(F)(F)F)nc1C(F)F
InChIInChI=1S/C10H9F5N2O3/c1-19-9(18)5-2-4(3-16)8(20-10(13,14)15)17-6(5)7(11)12/h2,7H,3,16H2,1H3
InChIKeyOASRJIUIOUJPNV-UHFFFAOYSA-N
XLogP2.16
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 5-(chloromethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663471
methyl 5-(bromomethyl)-6-(difluoromethyl)-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134663610
ethyl 5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylate
CID 134660436
methyl 5-chloro-2-(difluoromethyl)-6-methoxypyridine-3-carboxylate
CID 134674426
5-(aminomethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134678140
methyl 6-(aminomethyl)-2-(difluoromethyl)-5-methylpyridine-3-carboxylate
CID 133098701
methyl 5-(aminomethyl)-6-(difluoromethyl)-2-iodopyridine-3-carboxylate
CID 133100242
methyl 2-[5-(bromomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetate
CID 134671507
methyl 5-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134681784
methyl 6-(bromomethyl)-3-(difluoromethyl)-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 134676098
[5-(aminomethyl)-2-methoxy-6-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134680161
2-[5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)-3-pyridinyl]acetonitrile
CID 134682962

Frequently Asked Questions

What is the IUPAC name of methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate (CID 134683021) is methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate is COC(=O)c1cc(CN)c(OC(F)(F)F)nc1C(F)F.
What is the InChIKey of methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is OASRJIUIOUJPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2O3/c1-19-9(18)5-2-4(3-16)8(20-10(13,14)15)17-6(5)7(11)12/h2,7H,3,16H2,1H3.
What are the key properties of methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate?
methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate has a molecular weight of 300.18 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(aminomethyl)-2-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 134683021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).