2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid

C17H15ClN2O2 — CID 6217133

IUPAC2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1cc(N/N=C2/CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C17H15ClN2O2/c18-15-9-8-12(10-14(15)17(21)22)19-20-16-7-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,8-10,19H,3,5,7H2,(H,21,22)/b20-16-
InChIKeyFMRCQYAPKHOKTI-SILNSSARSA-N
MW314.77 g/mol
LogP4.19
Rot. Bonds3

About 2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid

2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid (PubChem CID 6217133) has the molecular formula C17H15ClN2O2 and a molecular weight of 314.77 g/mol. Its IUPAC name is 2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid
PubChem CID6217133
Molecular FormulaC17H15ClN2O2
Molecular Weight314.77 g/mol
Exact Mass314.08
IUPAC Name2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid
SMILESO=C(O)c1cc(N/N=C2/CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C17H15ClN2O2/c18-15-9-8-12(10-14(15)17(21)22)19-20-16-7-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,8-10,19H,3,5,7H2,(H,21,22)/b20-16-
InChIKeyFMRCQYAPKHOKTI-SILNSSARSA-N
XLogP4.19
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.77
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid?
The IUPAC name of 2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid (CID 6217133) is 2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid.
What is the SMILES notation for 2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid?
The canonical SMILES for 2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid is O=C(O)c1cc(N/N=C2/CCCc3ccccc32)ccc1Cl.
What is the InChIKey of 2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid?
The InChIKey is FMRCQYAPKHOKTI-SILNSSARSA-N. The full InChI is InChI=1S/C17H15ClN2O2/c18-15-9-8-12(10-14(15)17(21)22)19-20-16-7-3-5-11-4-1-2-6-13(11)16/h1-2,4,6,8-10,19H,3,5,7H2,(H,21,22)/b20-16-.
What are the key properties of 2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid?
2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid has a molecular weight of 314.77 g/mol, XLogP of 4.19, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2Z)-2-(3,4-dihydro-2H-naphthalen-1-ylidene)hydrazinyl]benzoic acid is sourced from PubChem (CID 6217133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).