3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid

C14H12ClNO4 — CID 16770015

IUPAC3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
SMILESCOc1cc(C(=O)O)cc(Cl)c1OCc1cccnc1
InChIInChI=1S/C14H12ClNO4/c1-19-12-6-10(14(17)18)5-11(15)13(12)20-8-9-3-2-4-16-7-9/h2-7H,8H2,1H3,(H,17,18)
InChIKeyUJACRARDLFJJLH-UHFFFAOYSA-N
MW293.71 g/mol
LogP3.02
Rot. Bonds5

About 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid

3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid (PubChem CID 16770015) has the molecular formula C14H12ClNO4 and a molecular weight of 293.71 g/mol. Its IUPAC name is 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid.

Molecular Properties

Compound Name3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
PubChem CID16770015
Molecular FormulaC14H12ClNO4
Molecular Weight293.71 g/mol
Exact Mass293.05
IUPAC Name3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid
SMILESCOc1cc(C(=O)O)cc(Cl)c1OCc1cccnc1
InChIInChI=1S/C14H12ClNO4/c1-19-12-6-10(14(17)18)5-11(15)13(12)20-8-9-3-2-4-16-7-9/h2-7H,8H2,1H3,(H,17,18)
InChIKeyUJACRARDLFJJLH-UHFFFAOYSA-N
XLogP3.02
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.71
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682617
3-chloro-4-[(4-chlorophenyl)methoxy]-5-methoxybenzoic acid
CID 8706920
2-chloro-5-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]benzoic acid
CID 17058523
3-chloro-5-methoxy-4-[[3-[(2-methylpropan-2-yl)oxy]phenyl]methoxy]benzoic acid
CID 142600538
3-chloro-5-methoxy-4-(thiophen-3-ylmethoxy)benzoic acid
CID 43646189
4-[(3-chlorophenyl)methoxy]-3,5-dimethoxybenzoic acid
CID 59303396
3-chloro-4-[(1-ethylpyrazol-4-yl)methoxy]-5-methoxybenzoic acid
CID 62127778
1-(4-chloro-3-methoxyphenyl)-2-pyridin-3-ylethanone
CID 79698529
1-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]propan-2-ol;dihydrochloride
CID 17055939
3-chloro-5-methoxy-4-propoxy-N-[1-[4-(pyridin-3-ylmethoxy)phenyl]ethyl]benzamide
CID 46470536
5-[[3-bromo-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methylamino]-2-chlorobenzoic acid
CID 17058484
N-[[3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)phenyl]methyl]cyclopentanamine
CID 6471617

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid?
The IUPAC name of 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid (CID 16770015) is 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid.
What is the SMILES notation for 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid?
The canonical SMILES for 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid is COc1cc(C(=O)O)cc(Cl)c1OCc1cccnc1.
What is the InChIKey of 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid?
The InChIKey is UJACRARDLFJJLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNO4/c1-19-12-6-10(14(17)18)5-11(15)13(12)20-8-9-3-2-4-16-7-9/h2-7H,8H2,1H3,(H,17,18).
What are the key properties of 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid?
3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid has a molecular weight of 293.71 g/mol, XLogP of 3.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-methoxy-4-(pyridin-3-ylmethoxy)benzoic acid is sourced from PubChem (CID 16770015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).