2-chloro-5-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid

C19H12ClN3O7 — CID 126053844

IUPAC2-chloro-5-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESO=C(N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C19H12ClN3O7/c20-15-4-1-10(7-13(15)19(26)27)17-6-3-12(30-17)9-21-22-18(25)14-8-11(23(28)29)2-5-16(14)24/h1-9,24H,(H,22,25)(H,26,27)/b21-9-
InChIKeyOOPZKNFDKMVPKS-NKVSQWTQSA-N
MW429.77 g/mol
LogP3.68
Rot. Bonds6

About 2-chloro-5-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid

2-chloro-5-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid (PubChem CID 126053844) has the molecular formula C19H12ClN3O7 and a molecular weight of 429.77 g/mol. Its IUPAC name is 2-chloro-5-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
PubChem CID126053844
Molecular FormulaC19H12ClN3O7
Molecular Weight429.77 g/mol
Exact Mass429.04
IUPAC Name2-chloro-5-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESO=C(N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cc([N+](=O)[O-])ccc1O
InChIInChI=1S/C19H12ClN3O7/c20-15-4-1-10(7-13(15)19(26)27)17-6-3-12(30-17)9-21-22-18(25)14-8-11(23(28)29)2-5-16(14)24/h1-9,24H,(H,22,25)(H,26,27)/b21-9-
InChIKeyOOPZKNFDKMVPKS-NKVSQWTQSA-N
XLogP3.68
TPSA155.27 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.77
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-chloro-4-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126050897
N-[(E)-[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylideneamino]-2-hydroxy-5-nitrobenzamide
CID 96892341
2-chloro-4-[5-[(Z)-[(2-hydroxybenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126048390
2-chloro-5-[5-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 2880979
2-chloro-5-[5-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 5445831
methyl 2-chloro-5-[5-[[(3-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoate
CID 3980033
2-chloro-4-[5-[[(3-hydroxynaphthalene-2-carbonyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 3429403
2-[5-[(Z)-(benzoylhydrazinylidene)methyl]furan-2-yl]-5-nitrobenzoic acid
CID 126145602
N-[[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 50883784
N-[[5-(3,4-dichlorophenyl)furan-2-yl]methylideneamino]-5-nitro-1-benzothiophene-2-carboxamide
CID 4656499
5-bromo-2-hydroxy-N-[(E)-[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylideneamino]benzamide
CID 96869284
2-[5-[(Z)-[(2-hydroxy-3-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]-5-nitrobenzoic acid
CID 126085997

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The IUPAC name of 2-chloro-5-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid (CID 126053844) is 2-chloro-5-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 2-chloro-5-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is O=C(N/N=C\c1ccc(-c2ccc(Cl)c(C(=O)O)c2)o1)c1cc([N+](=O)[O-])ccc1O.
What is the InChIKey of 2-chloro-5-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The InChIKey is OOPZKNFDKMVPKS-NKVSQWTQSA-N. The full InChI is InChI=1S/C19H12ClN3O7/c20-15-4-1-10(7-13(15)19(26)27)17-6-3-12(30-17)9-21-22-18(25)14-8-11(23(28)29)2-5-16(14)24/h1-9,24H,(H,22,25)(H,26,27)/b21-9-.
What are the key properties of 2-chloro-5-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
2-chloro-5-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid has a molecular weight of 429.77 g/mol, XLogP of 3.68, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 126053844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).