methyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate

C10H9ClF3NO4 — CID 134668325

IUPACmethyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC(F)(F)F)cc(CCl)c1OC
InChIInChI=1S/C10H9ClF3NO4/c1-17-8-5(4-11)3-6(19-10(12,13)14)15-7(8)9(16)18-2/h3H,4H2,1-2H3
InChIKeyKZGHVFWQNXXKTR-UHFFFAOYSA-N
MW299.63 g/mol
LogP2.51
Rot. Bonds4

About methyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate

methyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate (PubChem CID 134668325) has the molecular formula C10H9ClF3NO4 and a molecular weight of 299.63 g/mol. Its IUPAC name is methyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
PubChem CID134668325
Molecular FormulaC10H9ClF3NO4
Molecular Weight299.63 g/mol
Exact Mass299.02
IUPAC Namemethyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate
SMILESCOC(=O)c1nc(OC(F)(F)F)cc(CCl)c1OC
InChIInChI=1S/C10H9ClF3NO4/c1-17-8-5(4-11)3-6(19-10(12,13)14)15-7(8)9(16)18-2/h3H,4H2,1-2H3
InChIKeyKZGHVFWQNXXKTR-UHFFFAOYSA-N
XLogP2.51
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.63
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze methyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate 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

methyl 4-(bromomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134678483
methyl 4-(aminomethyl)-3-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134665509
methyl 4-(aminomethyl)-6-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-2-carboxylate
CID 134672737
4-(chloromethyl)-2-methoxy-6-(trifluoromethoxy)pyridine-3-carboxylic acid
CID 134679479
methyl 5-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134681784
methyl 3-methoxy-6-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-4-carboxylate
CID 134677123
2-[2-iodo-3-methoxy-6-(trifluoromethoxy)-4-pyridinyl]acetic acid
CID 134675739
[4-(chloromethyl)-6-methoxy-2-(trifluoromethoxy)-3-pyridinyl]methanol
CID 134669452
4-(chloromethyl)-2-iodo-6-methoxy-3-(trifluoromethoxy)pyridine
CID 130112648
ethyl 3-methoxy-4-nitro-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668250
methyl 6-methoxy-3-methyl-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134666359
methyl 4-(chloromethyl)-5-hydroxy-6-(trifluoromethoxy)pyridine-2-carboxylate
CID 134660430

Frequently Asked Questions

What is the IUPAC name of methyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate?
The IUPAC name of methyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate (CID 134668325) is methyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate.
What is the SMILES notation for methyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate?
The canonical SMILES for methyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate is COC(=O)c1nc(OC(F)(F)F)cc(CCl)c1OC.
What is the InChIKey of methyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate?
The InChIKey is KZGHVFWQNXXKTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO4/c1-17-8-5(4-11)3-6(19-10(12,13)14)15-7(8)9(16)18-2/h3H,4H2,1-2H3.
What are the key properties of methyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate?
methyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate has a molecular weight of 299.63 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(chloromethyl)-3-methoxy-6-(trifluoromethoxy)pyridine-2-carboxylate is sourced from PubChem (CID 134668325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).