3,6-dichloro-2-methoxybenzoic acid;N-methylmethanamine

C10H13Cl2NO3 — CID 16811

IUPAC3,6-dichloro-2-methoxybenzoic acid;N-methylmethanamine
SMILESCNC.COc1c(Cl)ccc(Cl)c1C(=O)O
InChIInChI=1S/C8H6Cl2O3.C2H7N/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;1-3-2/h2-3H,1H3,(H,11,12);3H,1-2H3
InChIKeyJDRFUUBRGGDEIZ-UHFFFAOYSA-N
MW266.12 g/mol
LogP2.54
Rot. Bonds2

About 3,6-dichloro-2-methoxybenzoic acid;N-methylmethanamine

3,6-dichloro-2-methoxybenzoic acid;N-methylmethanamine (PubChem CID 16811) has the molecular formula C10H13Cl2NO3 and a molecular weight of 266.12 g/mol. Its IUPAC name is 3,6-dichloro-2-methoxybenzoic acid;N-methylmethanamine.

Molecular Properties

Compound Name3,6-dichloro-2-methoxybenzoic acid;N-methylmethanamine
PubChem CID16811
Molecular FormulaC10H13Cl2NO3
Molecular Weight266.12 g/mol
Exact Mass265.03
IUPAC Name3,6-dichloro-2-methoxybenzoic acid;N-methylmethanamine
SMILESCNC.COc1c(Cl)ccc(Cl)c1C(=O)O
InChIInChI=1S/C8H6Cl2O3.C2H7N/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;1-3-2/h2-3H,1H3,(H,11,12);3H,1-2H3
InChIKeyJDRFUUBRGGDEIZ-UHFFFAOYSA-N
XLogP2.54
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.12
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-2-methoxybenzoic acid;N-methylmethanamine?
The IUPAC name of 3,6-dichloro-2-methoxybenzoic acid;N-methylmethanamine (CID 16811) is 3,6-dichloro-2-methoxybenzoic acid;N-methylmethanamine.
What is the SMILES notation for 3,6-dichloro-2-methoxybenzoic acid;N-methylmethanamine?
The canonical SMILES for 3,6-dichloro-2-methoxybenzoic acid;N-methylmethanamine is CNC.COc1c(Cl)ccc(Cl)c1C(=O)O.
What is the InChIKey of 3,6-dichloro-2-methoxybenzoic acid;N-methylmethanamine?
The InChIKey is JDRFUUBRGGDEIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6Cl2O3.C2H7N/c1-13-7-5(10)3-2-4(9)6(7)8(11)12;1-3-2/h2-3H,1H3,(H,11,12);3H,1-2H3.
What are the key properties of 3,6-dichloro-2-methoxybenzoic acid;N-methylmethanamine?
3,6-dichloro-2-methoxybenzoic acid;N-methylmethanamine has a molecular weight of 266.12 g/mol, XLogP of 2.54, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-2-methoxybenzoic acid;N-methylmethanamine is sourced from PubChem (CID 16811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).