2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid

C13H9Cl2NO3 — CID 113276788

IUPAC2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid
SMILESO=C(O)c1c(Cl)cccc1OCc1ccncc1Cl
InChIInChI=1S/C13H9Cl2NO3/c14-9-2-1-3-11(12(9)13(17)18)19-7-8-4-5-16-6-10(8)15/h1-6H,7H2,(H,17,18)
InChIKeyNGDAUXLTIQECCP-UHFFFAOYSA-N
MW298.12 g/mol
LogP3.67
Rot. Bonds4

About 2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid

2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid (PubChem CID 113276788) has the molecular formula C13H9Cl2NO3 and a molecular weight of 298.12 g/mol. Its IUPAC name is 2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid.

Molecular Properties

Compound Name2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid
PubChem CID113276788
Molecular FormulaC13H9Cl2NO3
Molecular Weight298.12 g/mol
Exact Mass297.00
IUPAC Name2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid
SMILESO=C(O)c1c(Cl)cccc1OCc1ccncc1Cl
InChIInChI=1S/C13H9Cl2NO3/c14-9-2-1-3-11(12(9)13(17)18)19-7-8-4-5-16-6-10(8)15/h1-6H,7H2,(H,17,18)
InChIKeyNGDAUXLTIQECCP-UHFFFAOYSA-N
XLogP3.67
TPSA59.42 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.12
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3-chloro-4-pyridinyl)methoxy]-6-nitrobenzoic acid
CID 107341394
3-[(3-chloro-4-pyridinyl)methoxy]-2-methylbenzoic acid
CID 82826328
methyl 2-amino-6-[(3-chloro-4-pyridinyl)methoxy]benzoate
CID 107341776
2-chloro-6-[(3-chloro-2-fluorophenyl)methoxy]benzoic acid
CID 102856041
4-[(2-chlorophenyl)methoxy]pyridine-3-carboxylic acid
CID 81227840
2-chloro-6-[(2-chloro-3-fluorophenyl)methoxy]benzoic acid
CID 115982957
2-[(2-chlorophenyl)methoxy]-6-methoxybenzoic acid
CID 170873582
2-chloro-6-[(2,5-difluorophenyl)methoxy]benzoic acid
CID 78975229
N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]ethanamine
CID 114319172
5-[(3-chloro-4-pyridinyl)methoxy]pyridine-2-carboxylic acid
CID 79794515
2-chloro-6-(2-phenoxyethoxy)benzoic acid
CID 28604962
N-[[2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]phenyl]methyl]propan-2-amine
CID 114319763

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid?
The IUPAC name of 2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid (CID 113276788) is 2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid.
What is the SMILES notation for 2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid?
The canonical SMILES for 2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid is O=C(O)c1c(Cl)cccc1OCc1ccncc1Cl.
What is the InChIKey of 2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid?
The InChIKey is NGDAUXLTIQECCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2NO3/c14-9-2-1-3-11(12(9)13(17)18)19-7-8-4-5-16-6-10(8)15/h1-6H,7H2,(H,17,18).
What are the key properties of 2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid?
2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid has a molecular weight of 298.12 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[(3-chloro-4-pyridinyl)methoxy]benzoic acid is sourced from PubChem (CID 113276788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).