methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate

C15H14ClNO4 — CID 91682617

IUPACmethyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate
SMILESCOC(=O)c1cc(Cl)c(OCc2cccnc2)c(OC)c1
InChIInChI=1S/C15H14ClNO4/c1-19-13-7-11(15(18)20-2)6-12(16)14(13)21-9-10-4-3-5-17-8-10/h3-8H,9H2,1-2H3
InChIKeyQDMKLTIQSUGHDC-UHFFFAOYSA-N
MW307.73 g/mol
LogP3.11
Rot. Bonds5

About methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate

methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate (PubChem CID 91682617) has the molecular formula C15H14ClNO4 and a molecular weight of 307.73 g/mol. Its IUPAC name is methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate.

Molecular Properties

Compound Namemethyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate
PubChem CID91682617
Molecular FormulaC15H14ClNO4
Molecular Weight307.73 g/mol
Exact Mass307.06
IUPAC Namemethyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate
SMILESCOC(=O)c1cc(Cl)c(OCc2cccnc2)c(OC)c1
InChIInChI=1S/C15H14ClNO4/c1-19-13-7-11(15(18)20-2)6-12(16)14(13)21-9-10-4-3-5-17-8-10/h3-8H,9H2,1-2H3
InChIKeyQDMKLTIQSUGHDC-UHFFFAOYSA-N
XLogP3.11
TPSA57.65 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
CID 16770015
2-chloro-5-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]benzoic acid
CID 17058523
1-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-ol;dihydrochloride
CID 17055939
N-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]prop-2-en-1-amine
CID 6501945
N-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 6471617
3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 46470536
N-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclohexanamine
CID 17055912
N-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]butan-1-amine;dihydrochloride
CID 17055928
1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone
CID 79698529
3-chloro-4-ethoxy-5-methoxy-N-pyridin-3-ylbenzamide
CID 25343284
N-[[5-chloro-3-methoxy-2-(pyridin-3-ylmethoxy)phenyl]methyl]ethanamine
CID 104664670
N-[[3-chloro-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 6473186

Frequently Asked Questions

What is the IUPAC name of methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate?
The IUPAC name of methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate (CID 91682617) is methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate.
What is the SMILES notation for methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate?
The canonical SMILES for methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate is COC(=O)c1cc(Cl)c(OCc2cccnc2)c(OC)c1.
What is the InChIKey of methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate?
The InChIKey is QDMKLTIQSUGHDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClNO4/c1-19-13-7-11(15(18)20-2)6-12(16)14(13)21-9-10-4-3-5-17-8-10/h3-8H,9H2,1-2H3.
What are the key properties of methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate?
methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate has a molecular weight of 307.73 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate is sourced from PubChem (CID 91682617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).