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

C10H6ClF6NO3 — CID 134673063

IUPACmethyl 6-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(OC(F)(F)F)cc(CCl)nc1C(F)(F)F
InChIInChI=1S/C10H6ClF6NO3/c1-20-8(19)6-5(21-10(15,16)17)2-4(3-11)18-7(6)9(12,13)14/h2H,3H2,1H3
InChIKeyZKNWDMUINFKXDV-UHFFFAOYSA-N
MW337.60 g/mol
LogP3.52
Rot. Bonds3

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

methyl 6-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate (PubChem CID 134673063) has the molecular formula C10H6ClF6NO3 and a molecular weight of 337.60 g/mol. Its IUPAC name is methyl 6-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
PubChem CID134673063
Molecular FormulaC10H6ClF6NO3
Molecular Weight337.60 g/mol
Exact Mass336.99
IUPAC Namemethyl 6-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
SMILESCOC(=O)c1c(OC(F)(F)F)cc(CCl)nc1C(F)(F)F
InChIInChI=1S/C10H6ClF6NO3/c1-20-8(19)6-5(21-10(15,16)17)2-4(3-11)18-7(6)9(12,13)14/h2H,3H2,1H3
InChIKeyZKNWDMUINFKXDV-UHFFFAOYSA-N
XLogP3.52
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.60
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 6-chloro-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 133087799
2-[6-(chloromethyl)-3-(trifluoromethoxy)-2-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 134676110
methyl 5-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate
CID 134669027
ethyl 6-(chloromethyl)-4-methoxy-2-(trifluoromethoxy)pyridine-3-carboxylate
CID 134681855
methyl 3-(chloromethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134668204
methyl 5-(chloromethyl)-6-(difluoromethyl)-4-(trifluoromethoxy)pyridine-2-carboxylate
CID 134682597
methyl 6-oxo-4-(trifluoromethoxy)-2-(trifluoromethyl)-1H-pyridine-3-carboxylate
CID 134664543
methyl 5-(chloromethyl)-2-(trifluoromethoxy)-3-(trifluoromethyl)pyridine-4-carboxylate
CID 134668049
methyl 4-(chloromethyl)-2-oxo-5-(trifluoromethoxy)-1H-pyridine-3-carboxylate
CID 134667066
ethyl 2-(aminomethyl)-6-fluoro-4-(trifluoromethoxy)pyridine-3-carboxylate
CID 134664905
methyl 3-(chloromethyl)-2-cyano-6-(trifluoromethoxy)benzoate
CID 134646475
2-[6-(chloromethyl)-2-(difluoromethyl)-4-(trifluoromethoxy)-3-pyridinyl]acetic acid
CID 134670663

Frequently Asked Questions

What is the IUPAC name of methyl 6-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate (CID 134673063) is methyl 6-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate is COC(=O)c1c(OC(F)(F)F)cc(CCl)nc1C(F)(F)F.
What is the InChIKey of methyl 6-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate?
The InChIKey is ZKNWDMUINFKXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF6NO3/c1-20-8(19)6-5(21-10(15,16)17)2-4(3-11)18-7(6)9(12,13)14/h2H,3H2,1H3.
What are the key properties of methyl 6-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate?
methyl 6-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate has a molecular weight of 337.60 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(chloromethyl)-4-(trifluoromethoxy)-2-(trifluoromethyl)pyridine-3-carboxylate is sourced from PubChem (CID 134673063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).