N-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid

C9H11F3N2O3 — CID 171925814

IUPACN-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCNOC.O=C(O)c1ncccc1C(F)(F)F
InChIInChI=1S/C7H4F3NO2.C2H7NO/c8-7(9,10)4-2-1-3-11-5(4)6(12)13;1-3-4-2/h1-3H,(H,12,13);3H,1-2H3
InChIKeyBOXKMPQZGNBISI-UHFFFAOYSA-N
MW252.19 g/mol
LogP1.57
Rot. Bonds2

About N-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid

N-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid (PubChem CID 171925814) has the molecular formula C9H11F3N2O3 and a molecular weight of 252.19 g/mol. Its IUPAC name is N-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid.

Molecular Properties

Compound NameN-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid
PubChem CID171925814
Molecular FormulaC9H11F3N2O3
Molecular Weight252.19 g/mol
Exact Mass252.07
IUPAC NameN-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid
SMILESCNOC.O=C(O)c1ncccc1C(F)(F)F
InChIInChI=1S/C7H4F3NO2.C2H7NO/c8-7(9,10)4-2-1-3-11-5(4)6(12)13;1-3-4-2/h1-3H,(H,12,13);3H,1-2H3
InChIKeyBOXKMPQZGNBISI-UHFFFAOYSA-N
XLogP1.57
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.19
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid
CID 162621627
3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]pyridine-2-carboxylic acid
CID 61396205
3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylic acid
CID 52983947
methyl 3-[2-(trifluoromethyl)phenyl]pyridine-2-carboxylate
CID 134634494
1-(2-methoxyphenyl)-4-[3-(trifluoromethyl)-2-pyridinyl]butane-1,4-dione
CID 90371171
3-(methylamino)pyridine-2-carboxylic acid
CID 19779285
methyl 3-[[2-(trifluoromethyl)phenyl]methylsulfonylmethyl]pyridine-2-carboxylate
CID 67983885
methyl 3-(1,1,2,2,3,3,4,4,4-nonafluorobutyl)pyridine-2-carboxylate
CID 118415347
4-methoxy-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]butanoic acid
CID 62478119
N'-(4-ethoxybenzoyl)-3-(trifluoromethyl)pyridine-2-carbohydrazide
CID 75398752
2-(1-chloroethenyl)-3-(trifluoromethyl)pyridine
CID 86191725
2-methoxycarbonylpyridine-3-carboxylic acid;pyridine-2,3-dicarboxylic acid
CID 141229427

Frequently Asked Questions

What is the IUPAC name of N-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid?
The IUPAC name of N-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid (CID 171925814) is N-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid.
What is the SMILES notation for N-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid?
The canonical SMILES for N-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid is CNOC.O=C(O)c1ncccc1C(F)(F)F.
What is the InChIKey of N-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid?
The InChIKey is BOXKMPQZGNBISI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO2.C2H7NO/c8-7(9,10)4-2-1-3-11-5(4)6(12)13;1-3-4-2/h1-3H,(H,12,13);3H,1-2H3.
What are the key properties of N-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid?
N-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid has a molecular weight of 252.19 g/mol, XLogP of 1.57, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methoxymethanamine;3-(trifluoromethyl)pyridine-2-carboxylic acid is sourced from PubChem (CID 171925814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).