2,3-dichlorobenzoic acid;1H-pyrazole

C10H8Cl2N2O2 — CID 70542105

IUPAC2,3-dichlorobenzoic acid;1H-pyrazole
SMILESO=C(O)c1cccc(Cl)c1Cl.c1cn[nH]c1
InChIInChI=1S/C7H4Cl2O2.C3H4N2/c8-5-3-1-2-4(6(5)9)7(10)11;1-2-4-5-3-1/h1-3H,(H,10,11);1-3H,(H,4,5)
InChIKeyWFWRCCNHQZHNQI-UHFFFAOYSA-N
MW259.09 g/mol
LogP3.10
Rot. Bonds1

About 2,3-dichlorobenzoic acid;1H-pyrazole

2,3-dichlorobenzoic acid;1H-pyrazole (PubChem CID 70542105) has the molecular formula C10H8Cl2N2O2 and a molecular weight of 259.09 g/mol. Its IUPAC name is 2,3-dichlorobenzoic acid;1H-pyrazole.

Molecular Properties

Compound Name2,3-dichlorobenzoic acid;1H-pyrazole
PubChem CID70542105
Molecular FormulaC10H8Cl2N2O2
Molecular Weight259.09 g/mol
Exact Mass258.00
IUPAC Name2,3-dichlorobenzoic acid;1H-pyrazole
SMILESO=C(O)c1cccc(Cl)c1Cl.c1cn[nH]c1
InChIInChI=1S/C7H4Cl2O2.C3H4N2/c8-5-3-1-2-4(6(5)9)7(10)11;1-2-4-5-3-1/h1-3H,(H,10,11);1-3H,(H,4,5)
InChIKeyWFWRCCNHQZHNQI-UHFFFAOYSA-N
XLogP3.10
TPSA65.98 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.09
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-chloro-5-fluoro-3-[2-(1H-pyrazol-4-yl)ethyl]benzoic acid
CID 169718874
2-Chloro-4-(1H-pyrazol-3-YL)benzoic acid
CID 22605457
EH-4-90-1 pyrazole, 3,5-Cl2-PhCOOH
CID 139146325
benzoic acid;1H-pyrazole
CID 89543191
2-chloro-5-(1H-pyrazol-4-yl)benzoic acid
CID 129283605
2-chloro-3-(1H-pyrazol-4-yl)benzoic acid
CID 155573329
2-chloro-5-fluoro-3-[2-(1H-pyrazol-4-yl)ethyl]benzoic acid;hydrochloride
CID 169718873
2-chloro-4-(1H-pyrazol-5-ylmethyl)benzoic acid
CID 174385589
(E)-2-(4-chlorophenyl)but-2-enedioic acid;1H-pyrazole
CID 175353871
4-chloro-3-(1H-pyrazol-4-yl)benzoic acid
CID 177367869
1H-pyrazol-4-ylmethyl 2-chlorobenzoate
CID 15648222
5-(2,3-dichlorophenyl)-1H-pyrazole-4-carboxylic acid
CID 108420046

Frequently Asked Questions

What is the IUPAC name of 2,3-dichlorobenzoic acid;1H-pyrazole?
The IUPAC name of 2,3-dichlorobenzoic acid;1H-pyrazole (CID 70542105) is 2,3-dichlorobenzoic acid;1H-pyrazole.
What is the SMILES notation for 2,3-dichlorobenzoic acid;1H-pyrazole?
The canonical SMILES for 2,3-dichlorobenzoic acid;1H-pyrazole is O=C(O)c1cccc(Cl)c1Cl.c1cn[nH]c1.
What is the InChIKey of 2,3-dichlorobenzoic acid;1H-pyrazole?
The InChIKey is WFWRCCNHQZHNQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2O2.C3H4N2/c8-5-3-1-2-4(6(5)9)7(10)11;1-2-4-5-3-1/h1-3H,(H,10,11);1-3H,(H,4,5).
What are the key properties of 2,3-dichlorobenzoic acid;1H-pyrazole?
2,3-dichlorobenzoic acid;1H-pyrazole has a molecular weight of 259.09 g/mol, XLogP of 3.10, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichlorobenzoic acid;1H-pyrazole is sourced from PubChem (CID 70542105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).