2-[(2Z)-2-[cyano(2H-tetrazol-5-yl)methylidene]hydrazinyl]benzoic acid

C10H7N7O2 — CID 136709064

IUPAC2-[(2Z)-2-[cyano(2H-tetrazol-5-yl)methylidene]hydrazinyl]benzoic acid
SMILESN#C/C(=N/Nc1ccccc1C(=O)O)c1nn[nH]n1
InChIInChI=1S/C10H7N7O2/c11-5-8(9-14-16-17-15-9)13-12-7-4-2-1-3-6(7)10(18)19/h1-4,12H,(H,18,19)(H,14,15,16,17)/b13-8-
InChIKeyWOMILJJDMVCYIS-JYRVWZFOSA-N
MW257.21 g/mol
LogP0.24
Rot. Bonds4

About 2-[(2Z)-2-[cyano(2H-tetrazol-5-yl)methylidene]hydrazinyl]benzoic acid

2-[(2Z)-2-[cyano(2H-tetrazol-5-yl)methylidene]hydrazinyl]benzoic acid (PubChem CID 136709064) has the molecular formula C10H7N7O2 and a molecular weight of 257.21 g/mol. Its IUPAC name is 2-[(2Z)-2-[cyano(2H-tetrazol-5-yl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[(2Z)-2-[cyano(2H-tetrazol-5-yl)methylidene]hydrazinyl]benzoic acid
PubChem CID136709064
Molecular FormulaC10H7N7O2
Molecular Weight257.21 g/mol
Exact Mass257.07
IUPAC Name2-[(2Z)-2-[cyano(2H-tetrazol-5-yl)methylidene]hydrazinyl]benzoic acid
SMILESN#C/C(=N/Nc1ccccc1C(=O)O)c1nn[nH]n1
InChIInChI=1S/C10H7N7O2/c11-5-8(9-14-16-17-15-9)13-12-7-4-2-1-3-6(7)10(18)19/h1-4,12H,(H,18,19)(H,14,15,16,17)/b13-8-
InChIKeyWOMILJJDMVCYIS-JYRVWZFOSA-N
XLogP0.24
TPSA139.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.21
LogP ≤ 50.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_acid_A(19)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[2-(3,5-Diiminopyrazolidin-4-ylidene)hydrazinyl]benzoic acid
CID 1494750
2-amino-4-(1H-tetrazol-5-yl)benzoic acid
CID 4769991
5-Fluoro-2-(5-phenyltetrazol-2-yl)benzoic acid
CID 43313081
3-Fluoro-2-(5-phenyltetrazol-2-yl)benzoic acid
CID 62650291
2-Fluoro-6-(5-phenyltetrazol-2-yl)benzoic acid
CID 79516990
2-[5-(Trifluoromethyl)tetrazol-2-yl]benzoic acid
CID 154577604
2-[2-(Dicyanomethylidene)hydrazinyl]-4-fluorobenzoic acid
CID 169341881
2-[2-(Dicyanomethylidene)hydrazinyl]-5-fluorobenzoic acid
CID 169341987
2-[2-(Dicyanomethylidene)hydrazinyl]-6-fluorobenzoic acid
CID 169342055
2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-4-fluorobenzoic acid
CID 169346837
2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-5-fluorobenzoic acid
CID 169346951
2-[[2-cyano-2-(2H-tetrazol-5-yl)ethenyl]amino]-6-fluorobenzoic acid
CID 169347023

Frequently Asked Questions

What is the IUPAC name of 2-[(2Z)-2-[cyano(2H-tetrazol-5-yl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-[(2Z)-2-[cyano(2H-tetrazol-5-yl)methylidene]hydrazinyl]benzoic acid (CID 136709064) is 2-[(2Z)-2-[cyano(2H-tetrazol-5-yl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[(2Z)-2-[cyano(2H-tetrazol-5-yl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-[(2Z)-2-[cyano(2H-tetrazol-5-yl)methylidene]hydrazinyl]benzoic acid is N#C/C(=N/Nc1ccccc1C(=O)O)c1nn[nH]n1.
What is the InChIKey of 2-[(2Z)-2-[cyano(2H-tetrazol-5-yl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is WOMILJJDMVCYIS-JYRVWZFOSA-N. The full InChI is InChI=1S/C10H7N7O2/c11-5-8(9-14-16-17-15-9)13-12-7-4-2-1-3-6(7)10(18)19/h1-4,12H,(H,18,19)(H,14,15,16,17)/b13-8-.
What are the key properties of 2-[(2Z)-2-[cyano(2H-tetrazol-5-yl)methylidene]hydrazinyl]benzoic acid?
2-[(2Z)-2-[cyano(2H-tetrazol-5-yl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 257.21 g/mol, XLogP of 0.24, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2Z)-2-[cyano(2H-tetrazol-5-yl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 136709064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).