2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid

C14H11BrN2O2 — CID 3905063

IUPAC2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccccc1NN=Cc1ccc(Br)cc1
InChIInChI=1S/C14H11BrN2O2/c15-11-7-5-10(6-8-11)9-16-17-13-4-2-1-3-12(13)14(18)19/h1-9,17H,(H,18,19)
InChIKeyAETLYHIFAZOEJJ-UHFFFAOYSA-N
MW319.16 g/mol
LogP3.59
Rot. Bonds4

About 2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid

2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid (PubChem CID 3905063) has the molecular formula C14H11BrN2O2 and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid
PubChem CID3905063
Molecular FormulaC14H11BrN2O2
Molecular Weight319.16 g/mol
Exact Mass318.00
IUPAC Name2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid
SMILESO=C(O)c1ccccc1NN=Cc1ccc(Br)cc1
InChIInChI=1S/C14H11BrN2O2/c15-11-7-5-10(6-8-11)9-16-17-13-4-2-1-3-12(13)14(18)19/h1-9,17H,(H,18,19)
InChIKeyAETLYHIFAZOEJJ-UHFFFAOYSA-N
XLogP3.59
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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-[(2E)-2-[[4-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339654
2-[2-[(4-phenoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 110841337
2-[(2E)-2-[(4-tert-butylphenyl)methylidene]hydrazinyl]benzoic acid
CID 20982677
2-[2-[[4-(trifluoromethyl)phenyl]methylidene]hydrazinyl]benzoic acid
CID 75665244
2-[(2E)-2-[(4-bromothiophen-2-yl)methylidene]hydrazinyl]benzoic acid
CID 45327660
2-[(2E)-2-[(4-morpholin-4-ylphenyl)methylidene]hydrazinyl]benzoic acid
CID 45327412
2-[2-[[2-[(4-bromophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 3698139
3-[(E)-[(2-carboxyphenyl)hydrazinylidene]methyl]-4-hydroxybenzoic acid
CID 135406957
2-[(2E)-2-[[4-[(3-chlorophenyl)methoxy]phenyl]methylidene]hydrazinyl]benzoic acid
CID 110339708
2-[(2E)-2-[(5-bromo-2-hydroxy-3-methoxyphenyl)methylidene]hydrazinyl]benzoic acid
CID 135713651
2-[(2E)-2-(naphthalen-1-ylmethylidene)hydrazinyl]benzoic acid
CID 45327399
2-[2-[[3-(difluoromethoxy)phenyl]methylidene]hydrazinyl]benzoic acid
CID 4692966

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid?
The IUPAC name of 2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid (CID 3905063) is 2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid.
What is the SMILES notation for 2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid?
The canonical SMILES for 2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid is O=C(O)c1ccccc1NN=Cc1ccc(Br)cc1.
What is the InChIKey of 2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid?
The InChIKey is AETLYHIFAZOEJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2O2/c15-11-7-5-10(6-8-11)9-16-17-13-4-2-1-3-12(13)14(18)19/h1-9,17H,(H,18,19).
What are the key properties of 2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid?
2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid has a molecular weight of 319.16 g/mol, XLogP of 3.59, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4-bromophenyl)methylidene]hydrazinyl]benzoic acid is sourced from PubChem (CID 3905063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).