3-chlorobenzoic acid;7-nitroquinolin-8-ol

C16H11ClN2O5 — CID 23620172

IUPAC3-chlorobenzoic acid;7-nitroquinolin-8-ol
SMILESO=C(O)c1cccc(Cl)c1.O=[N+]([O-])c1ccc2cccnc2c1O
InChIInChI=1S/C9H6N2O3.C7H5ClO2/c12-9-7(11(13)14)4-3-6-2-1-5-10-8(6)9;8-6-3-1-2-5(4-6)7(9)10/h1-5,12H;1-4H,(H,9,10)
InChIKeyTUZRKKCCCGCPGD-UHFFFAOYSA-N
MW346.73 g/mol
LogP3.89
Rot. Bonds2

About 3-chlorobenzoic acid;7-nitroquinolin-8-ol

3-chlorobenzoic acid;7-nitroquinolin-8-ol (PubChem CID 23620172) has the molecular formula C16H11ClN2O5 and a molecular weight of 346.73 g/mol. Its IUPAC name is 3-chlorobenzoic acid;7-nitroquinolin-8-ol.

Molecular Properties

Compound Name3-chlorobenzoic acid;7-nitroquinolin-8-ol
PubChem CID23620172
Molecular FormulaC16H11ClN2O5
Molecular Weight346.73 g/mol
Exact Mass346.04
IUPAC Name3-chlorobenzoic acid;7-nitroquinolin-8-ol
SMILESO=C(O)c1cccc(Cl)c1.O=[N+]([O-])c1ccc2cccnc2c1O
InChIInChI=1S/C9H6N2O3.C7H5ClO2/c12-9-7(11(13)14)4-3-6-2-1-5-10-8(6)9;8-6-3-1-2-5(4-6)7(9)10/h1-5,12H;1-4H,(H,9,10)
InChIKeyTUZRKKCCCGCPGD-UHFFFAOYSA-N
XLogP3.89
TPSA113.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.73
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-chlorobenzoic acid;7-nitroquinolin-8-ol
CID 23620171
4-ethoxybenzoic acid;7-nitroquinolin-8-ol
CID 23620183
2-deuterio-7-nitroquinolin-8-ol
CID 170982608
(7-nitroquinolin-8-yl) (E)-3-(3-chlorophenyl)-2-methylprop-2-enoate
CID 6434051
tetrakis(3-chlorobenzoic acid);bis(rhodium)
CID 11967271
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CID 139083398
7-nitroquinolin-8-amine
CID 12663942
1-(8-nitroquinolin-6-yl)ethanone
CID 166162234
4-chloro-2-nitro-6-[(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 3097115
4-chloro-2-nitro-6-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]phenol
CID 135763883
3-[(3-nitro-2-pyridinyl)oxy]benzoic acid
CID 55138995
benzoic acid;3-chlorobenzoic acid
CID 162034638

Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzoic acid;7-nitroquinolin-8-ol?
The IUPAC name of 3-chlorobenzoic acid;7-nitroquinolin-8-ol (CID 23620172) is 3-chlorobenzoic acid;7-nitroquinolin-8-ol.
What is the SMILES notation for 3-chlorobenzoic acid;7-nitroquinolin-8-ol?
The canonical SMILES for 3-chlorobenzoic acid;7-nitroquinolin-8-ol is O=C(O)c1cccc(Cl)c1.O=[N+]([O-])c1ccc2cccnc2c1O.
What is the InChIKey of 3-chlorobenzoic acid;7-nitroquinolin-8-ol?
The InChIKey is TUZRKKCCCGCPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6N2O3.C7H5ClO2/c12-9-7(11(13)14)4-3-6-2-1-5-10-8(6)9;8-6-3-1-2-5(4-6)7(9)10/h1-5,12H;1-4H,(H,9,10).
What are the key properties of 3-chlorobenzoic acid;7-nitroquinolin-8-ol?
3-chlorobenzoic acid;7-nitroquinolin-8-ol has a molecular weight of 346.73 g/mol, XLogP of 3.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobenzoic acid;7-nitroquinolin-8-ol is sourced from PubChem (CID 23620172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).