methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate

C13H9ClFNO3 — CID 134204705

IUPACmethyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccc(F)cc2Cl)nc1
InChIInChI=1S/C13H9ClFNO3/c1-18-13(17)8-2-5-12(16-7-8)19-11-4-3-9(15)6-10(11)14/h2-7H,1H3
InChIKeyMBQQRBHYRDZWTJ-UHFFFAOYSA-N
MW281.67 g/mol
LogP3.45
Rot. Bonds3

About methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate

methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate (PubChem CID 134204705) has the molecular formula C13H9ClFNO3 and a molecular weight of 281.67 g/mol. Its IUPAC name is methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
PubChem CID134204705
Molecular FormulaC13H9ClFNO3
Molecular Weight281.67 g/mol
Exact Mass281.03
IUPAC Namemethyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(Oc2ccc(F)cc2Cl)nc1
InChIInChI=1S/C13H9ClFNO3/c1-18-13(17)8-2-5-12(16-7-8)19-11-4-3-9(15)6-10(11)14/h2-7H,1H3
InChIKeyMBQQRBHYRDZWTJ-UHFFFAOYSA-N
XLogP3.45
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.67
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 5-(2-chloro-4-fluorophenoxy)pyrazine-2-carboxylate
CID 114059663
6-(2-chloro-4-fluorophenoxy)pyridine-3-carboximidamide
CID 54880716
5-chloro-2-(2-chloro-4-fluorophenoxy)pyridine
CID 66234554
ethyl 6-(4-amino-2-chlorophenoxy)pyridine-3-carboxylate
CID 43364097
methyl 4-[(5-amino-2-pyridinyl)oxy]-3-fluorobenzoate
CID 68524349
ethyl 6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylate
CID 24707678
5-(bromomethyl)-2-(2-chloro-4-fluorophenoxy)pyridine
CID 107087885
methyl 6-[(4-fluorophenyl)methoxy]pyridine-3-carboxylate
CID 58368225
methyl 4-[(1S)-1-[[5-chloro-2-[(5-fluoro-2-pyridinyl)oxy]benzoyl]amino]ethyl]benzoate
CID 69415880
6-(2-bromo-4-fluorophenoxy)pyridine-3-carboxylic acid
CID 16784195
ethyl 6-(2-chloro-4-cyanophenoxy)pyridine-3-carboxylate
CID 31536724
[6-(4-chloro-2,3-difluorophenoxy)-3-pyridinyl]-(3,4-dimethoxyphenyl)methanone
CID 14878855

Frequently Asked Questions

What is the IUPAC name of methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate?
The IUPAC name of methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate (CID 134204705) is methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate is COC(=O)c1ccc(Oc2ccc(F)cc2Cl)nc1.
What is the InChIKey of methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate?
The InChIKey is MBQQRBHYRDZWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClFNO3/c1-18-13(17)8-2-5-12(16-7-8)19-11-4-3-9(15)6-10(11)14/h2-7H,1H3.
What are the key properties of methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate?
methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate has a molecular weight of 281.67 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(2-chloro-4-fluorophenoxy)pyridine-3-carboxylate is sourced from PubChem (CID 134204705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).