methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate

C10H9F5N2O3 — CID 134661378

IUPACmethyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1c(CN)ncc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C10H9F5N2O3/c1-19-9(18)6-5(2-16)17-3-4(8(11)12)7(6)20-10(13,14)15/h3,8H,2,16H2,1H3
InChIKeyYDXBOTFARULGLF-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.16
Rot. Bonds4

About methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate

methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate (PubChem CID 134661378) has the molecular formula C10H9F5N2O3 and a molecular weight of 300.18 g/mol. Its IUPAC name is methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
PubChem CID134661378
Molecular FormulaC10H9F5N2O3
Molecular Weight300.18 g/mol
Exact Mass300.05
IUPAC Namemethyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1c(CN)ncc(C(F)F)c1OC(F)(F)F
InChIInChI=1S/C10H9F5N2O3/c1-19-9(18)6-5(2-16)17-3-4(8(11)12)7(6)20-10(13,14)15/h3,8H,2,16H2,1H3
InChIKeyYDXBOTFARULGLF-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-(difluoromethyl)-2-iodo-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134661548
methyl 2-(chloromethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylate
CID 134668978
2-(aminomethyl)-5-(difluoromethyl)-3-(trifluoromethoxy)pyridine-4-carboxylic acid
CID 118842473
[5-(difluoromethyl)-4-(trifluoromethoxy)-3-(trifluoromethyl)-2-pyridinyl]methanamine
CID 134672562
methyl 2-(bromomethyl)-4-(trifluoromethoxy)-5-(trifluoromethyl)pyridine-3-carboxylate
CID 134659469
2-(bromomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118804455
ethyl 2-[3-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)-2-pyridinyl]acetate
CID 134659427
methyl 5-(difluoromethyl)-4-fluoro-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134677546
2-(aminomethyl)-5-methoxy-4-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 118848308
[5-(difluoromethyl)-4-iodo-3-(trifluoromethoxy)-2-pyridinyl]methanol
CID 134670100
ethyl 2-(aminomethyl)-5-(difluoromethyl)-4-fluoropyridine-3-carboxylate
CID 133104158
methyl 2-(aminomethyl)-3-(difluoromethyl)-5-fluoropyridine-4-carboxylate
CID 133104155

Frequently Asked Questions

What is the IUPAC name of methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate (CID 134661378) is methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate is COC(=O)c1c(CN)ncc(C(F)F)c1OC(F)(F)F.
What is the InChIKey of methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate?
The InChIKey is YDXBOTFARULGLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5N2O3/c1-19-9(18)6-5(2-16)17-3-4(8(11)12)7(6)20-10(13,14)15/h3,8H,2,16H2,1H3.
What are the key properties of methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate?
methyl 2-(aminomethyl)-5-(difluoromethyl)-4-(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 2-(aminomethyl)-5-(difluoromethyl)-4-(trifluoromethoxy)pyridine-3-carboxylate is sourced from PubChem (CID 134661378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).