azane;3,6-dichloro-2-methoxybenzoic acid

C8H9Cl2NO3 — CID 22027381

IUPACazane;3,6-dichloro-2-methoxybenzoic acid
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)O.N
InChIInChI=1S/C8H6Cl2O3.H3N/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;/h2-3H,1H3,(H,11,12);1H3
InChIKeyCLTYELOWSQOWDY-UHFFFAOYSA-N
MW238.07 g/mol
LogP2.86
Rot. Bonds2

About azane;3,6-dichloro-2-methoxybenzoic acid

azane;3,6-dichloro-2-methoxybenzoic acid (PubChem CID 22027381) has the molecular formula C8H9Cl2NO3 and a molecular weight of 238.07 g/mol. Its IUPAC name is azane;3,6-dichloro-2-methoxybenzoic acid.

Molecular Properties

Compound Nameazane;3,6-dichloro-2-methoxybenzoic acid
PubChem CID22027381
Molecular FormulaC8H9Cl2NO3
Molecular Weight238.07 g/mol
Exact Mass237.00
IUPAC Nameazane;3,6-dichloro-2-methoxybenzoic acid
SMILESCOc1c(Cl)ccc(Cl)c1C(=O)O.N
InChIInChI=1S/C8H6Cl2O3.H3N/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;/h2-3H,1H3,(H,11,12);1H3
InChIKeyCLTYELOWSQOWDY-UHFFFAOYSA-N
XLogP2.86
TPSA81.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.07
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of azane;3,6-dichloro-2-methoxybenzoic acid?
The IUPAC name of azane;3,6-dichloro-2-methoxybenzoic acid (CID 22027381) is azane;3,6-dichloro-2-methoxybenzoic acid.
What is the SMILES notation for azane;3,6-dichloro-2-methoxybenzoic acid?
The canonical SMILES for azane;3,6-dichloro-2-methoxybenzoic acid is COc1c(Cl)ccc(Cl)c1C(=O)O.N.
What is the InChIKey of azane;3,6-dichloro-2-methoxybenzoic acid?
The InChIKey is CLTYELOWSQOWDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3.H3N/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;/h2-3H,1H3,(H,11,12);1H3.
What are the key properties of azane;3,6-dichloro-2-methoxybenzoic acid?
azane;3,6-dichloro-2-methoxybenzoic acid has a molecular weight of 238.07 g/mol, XLogP of 2.86, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;3,6-dichloro-2-methoxybenzoic acid is sourced from PubChem (CID 22027381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).