methyl 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylate;[6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methanol

C19H20F6N2O5 — CID 159504895

IUPACmethyl 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylate;[6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methanol
SMILESCOC(=O)c1ccc(COCC(F)(F)F)nc1.OCc1ccc(COCC(F)(F)F)nc1
InChIInChI=1S/C10H10F3NO3.C9H10F3NO2/c1-16-9(15)7-2-3-8(14-4-7)5-17-6-10(11,12)13;10-9(11,12)6-15-5-8-2-1-7(4-14)3-13-8/h2-4H,5-6H2,1H3;1-3,14H,4-6H2
InChIKeyLZVYZQFOSGMYIG-UHFFFAOYSA-N
MW470.37 g/mol
LogP3.60
Rot. Bonds8

About methyl 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylate;[6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methanol

methyl 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylate;[6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methanol (PubChem CID 159504895) has the molecular formula C19H20F6N2O5 and a molecular weight of 470.37 g/mol. Its IUPAC name is methyl 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylate;[6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Namemethyl 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylate;[6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methanol
PubChem CID159504895
Molecular FormulaC19H20F6N2O5
Molecular Weight470.37 g/mol
Exact Mass470.13
IUPAC Namemethyl 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylate;[6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methanol
SMILESCOC(=O)c1ccc(COCC(F)(F)F)nc1.OCc1ccc(COCC(F)(F)F)nc1
InChIInChI=1S/C10H10F3NO3.C9H10F3NO2/c1-16-9(15)7-2-3-8(14-4-7)5-17-6-10(11,12)13;10-9(11,12)6-15-5-8-2-1-7(4-14)3-13-8/h2-4H,5-6H2,1H3;1-3,14H,4-6H2
InChIKeyLZVYZQFOSGMYIG-UHFFFAOYSA-N
XLogP3.60
TPSA90.77 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.37
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylate;[6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Dipropyl isocinchomeronate
CID 8693
5-(Methoxycarbonyl)pyridine-2-carboxylic acid
CID 314992
Dimethyl 2,5-pyridine dicarboxylate
CID 234911
Diethyl 2,5-pyridinedicarboxylate
CID 254728
2-Methyl 2,3-pyridinedicarboxylate
CID 98626
Methyl 6-methylnicotinate
CID 231548
6-Hydroxymethyl-nicotinic acid methyl ester
CID 789414
6-(Trifluoromethyl)nicotinic acid
CID 2777551
6-(Methoxycarbonyl)pyridine-3-carboxylic acid
CID 579631
5-(Ethoxycarbonyl)pyridine-2-carboxylic acid
CID 592087
Ethyl 5-(difluoromethyl)-3-morpholin-4-ylpyridine-2-carboxylate
CID 134461733
Nicotinic acid, tetramethylene ester
CID 59189

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylate;[6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methanol?
The IUPAC name of methyl 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylate;[6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methanol (CID 159504895) is methyl 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylate;[6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methanol.
What is the SMILES notation for methyl 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylate;[6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methanol?
The canonical SMILES for methyl 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylate;[6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methanol is COC(=O)c1ccc(COCC(F)(F)F)nc1.OCc1ccc(COCC(F)(F)F)nc1.
What is the InChIKey of methyl 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylate;[6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methanol?
The InChIKey is LZVYZQFOSGMYIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3NO3.C9H10F3NO2/c1-16-9(15)7-2-3-8(14-4-7)5-17-6-10(11,12)13;10-9(11,12)6-15-5-8-2-1-7(4-14)3-13-8/h2-4H,5-6H2,1H3;1-3,14H,4-6H2.
What are the key properties of methyl 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylate;[6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methanol?
methyl 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylate;[6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methanol has a molecular weight of 470.37 g/mol, XLogP of 3.60, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxylate;[6-(2,2,2-trifluoroethoxymethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 159504895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).