methyl 2-chloro-3-pyridin-4-yloxybenzoate

C13H10ClNO3 — CID 141188004

IUPACmethyl 2-chloro-3-pyridin-4-yloxybenzoate
SMILESCOC(=O)c1cccc(Oc2ccncc2)c1Cl
InChIInChI=1S/C13H10ClNO3/c1-17-13(16)10-3-2-4-11(12(10)14)18-9-5-7-15-8-6-9/h2-8H,1H3
InChIKeyTTWYFIDRNZYFQB-UHFFFAOYSA-N
MW263.68 g/mol
LogP3.31
Rot. Bonds3

About methyl 2-chloro-3-pyridin-4-yloxybenzoate

methyl 2-chloro-3-pyridin-4-yloxybenzoate (PubChem CID 141188004) has the molecular formula C13H10ClNO3 and a molecular weight of 263.68 g/mol. Its IUPAC name is methyl 2-chloro-3-pyridin-4-yloxybenzoate.

Molecular Properties

Compound Namemethyl 2-chloro-3-pyridin-4-yloxybenzoate
PubChem CID141188004
Molecular FormulaC13H10ClNO3
Molecular Weight263.68 g/mol
Exact Mass263.03
IUPAC Namemethyl 2-chloro-3-pyridin-4-yloxybenzoate
SMILESCOC(=O)c1cccc(Oc2ccncc2)c1Cl
InChIInChI=1S/C13H10ClNO3/c1-17-13(16)10-3-2-4-11(12(10)14)18-9-5-7-15-8-6-9/h2-8H,1H3
InChIKeyTTWYFIDRNZYFQB-UHFFFAOYSA-N
XLogP3.31
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.68
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-chloro-3-methoxybenzoate
CID 10262208
methyl 2-chloro-3-ethoxybenzoate
CID 153384236
methyl 2-[(2-chloro-4-pyridinyl)oxy]benzoate
CID 86634716
(2-methoxycarbonylphenyl) pyridine-4-carboxylate
CID 786465
methyl 2-(3,5-dichlorophenoxy)benzoate
CID 15036758
methyl 2-chloro-3-sulfanylbenzoate
CID 70148782
methyl 3-chloro-2-pyridin-4-ylpyridine-4-carboxylate
CID 46317559
dimethyl benzene-1,2-dicarboxylate;methane
CID 161056666
methyl 2-[(2-phenoxyphenyl)carbamoylamino]benzoate
CID 108992330
2-methyl-3-pyridin-4-yloxyphenol
CID 60871245
methyl 3-chloropyridine-4-carboxylate
CID 15324397
methyl 2-[(4-amino-3-pyridinyl)oxy]benzoate
CID 15057056

Frequently Asked Questions

What is the IUPAC name of methyl 2-chloro-3-pyridin-4-yloxybenzoate?
The IUPAC name of methyl 2-chloro-3-pyridin-4-yloxybenzoate (CID 141188004) is methyl 2-chloro-3-pyridin-4-yloxybenzoate.
What is the SMILES notation for methyl 2-chloro-3-pyridin-4-yloxybenzoate?
The canonical SMILES for methyl 2-chloro-3-pyridin-4-yloxybenzoate is COC(=O)c1cccc(Oc2ccncc2)c1Cl.
What is the InChIKey of methyl 2-chloro-3-pyridin-4-yloxybenzoate?
The InChIKey is TTWYFIDRNZYFQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClNO3/c1-17-13(16)10-3-2-4-11(12(10)14)18-9-5-7-15-8-6-9/h2-8H,1H3.
What are the key properties of methyl 2-chloro-3-pyridin-4-yloxybenzoate?
methyl 2-chloro-3-pyridin-4-yloxybenzoate has a molecular weight of 263.68 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-chloro-3-pyridin-4-yloxybenzoate is sourced from PubChem (CID 141188004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).