2-chloro-5-[5-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid

C17H11ClN4O5 — CID 2880979

IUPAC2-chloro-5-[5-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESO=C(O)c1cc(-c2ccc(C=NNc3ccc([N+](=O)[O-])cn3)o2)ccc1Cl
InChIInChI=1S/C17H11ClN4O5/c18-14-4-1-10(7-13(14)17(23)24)15-5-3-12(27-15)9-20-21-16-6-2-11(8-19-16)22(25)26/h1-9H,(H,19,21)(H,23,24)
InChIKeyOWKUHKATGLRDHZ-UHFFFAOYSA-N
MW386.75 g/mol
LogP4.05
Rot. Bonds6

About 2-chloro-5-[5-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid

2-chloro-5-[5-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid (PubChem CID 2880979) has the molecular formula C17H11ClN4O5 and a molecular weight of 386.75 g/mol. Its IUPAC name is 2-chloro-5-[5-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[5-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
PubChem CID2880979
Molecular FormulaC17H11ClN4O5
Molecular Weight386.75 g/mol
Exact Mass386.04
IUPAC Name2-chloro-5-[5-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
SMILESO=C(O)c1cc(-c2ccc(C=NNc3ccc([N+](=O)[O-])cn3)o2)ccc1Cl
InChIInChI=1S/C17H11ClN4O5/c18-14-4-1-10(7-13(14)17(23)24)15-5-3-12(27-15)9-20-21-16-6-2-11(8-19-16)22(25)26/h1-9H,(H,19,21)(H,23,24)
InChIKeyOWKUHKATGLRDHZ-UHFFFAOYSA-N
XLogP4.05
TPSA130.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.75
LogP ≤ 54.05
H-Bond Donors ≤ 52
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'}

Analyze 2-chloro-5-[5-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-5-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126053844
N-[(2-chloro-5-nitrophenyl)methylideneamino]-5-nitropyridin-2-amine
CID 3684648
5-[(2E)-2-[[5-(3-carboxy-4-chlorophenyl)furan-2-yl]methylidene]hydrazinyl]-2-methylbenzoic acid
CID 58586325
4-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]benzoic acid
CID 5065997
2-chloro-4-[5-[(Z)-[(2-hydroxy-5-nitrobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126050897
3,5,6-trichloro-N-[[5-(4-nitrophenyl)furan-2-yl]methylideneamino]pyridin-2-amine
CID 3605941
N-[(Z)-[5-(4-chloro-3-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 6178813
N-[(E)-[5-(4-chlorophenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 5339495
2-chloro-5-[5-[(Z)-[[(2S)-2-hydroxy-2-phenylacetyl]hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 126267693
2-chloro-5-[5-[(Z)-[(4-fluorobenzoyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid
CID 5445831
3,4-dichloro-N-[(E)-[5-(2-chloro-5-nitrophenyl)furan-2-yl]methylideneamino]aniline
CID 46495621
N-[[5-(3-chloro-4-methoxyphenyl)furan-2-yl]methylideneamino]-4-nitroaniline
CID 2837615

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[5-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The IUPAC name of 2-chloro-5-[5-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid (CID 2880979) is 2-chloro-5-[5-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[5-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The canonical SMILES for 2-chloro-5-[5-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is O=C(O)c1cc(-c2ccc(C=NNc3ccc([N+](=O)[O-])cn3)o2)ccc1Cl.
What is the InChIKey of 2-chloro-5-[5-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
The InChIKey is OWKUHKATGLRDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN4O5/c18-14-4-1-10(7-13(14)17(23)24)15-5-3-12(27-15)9-20-21-16-6-2-11(8-19-16)22(25)26/h1-9H,(H,19,21)(H,23,24).
What are the key properties of 2-chloro-5-[5-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid?
2-chloro-5-[5-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid has a molecular weight of 386.75 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[5-[[(5-nitro-2-pyridinyl)hydrazinylidene]methyl]furan-2-yl]benzoic acid is sourced from PubChem (CID 2880979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).