4-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile

C19H11N5O3 — CID 135567716

IUPAC4-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(N/N=C/c2c(O)ccc3ccccc23)c([N+](=O)[O-])cc1C#N
InChIInChI=1S/C19H11N5O3/c20-9-13-7-17(18(24(26)27)8-14(13)10-21)23-22-11-16-15-4-2-1-3-12(15)5-6-19(16)25/h1-8,11,23,25H/b22-11+
InChIKeyMDYPMCKRZMSPNW-SSDVNMTOSA-N
MW357.33 g/mol
LogP3.64
Rot. Bonds4

About 4-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile

4-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile (PubChem CID 135567716) has the molecular formula C19H11N5O3 and a molecular weight of 357.33 g/mol. Its IUPAC name is 4-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile.

Molecular Properties

Compound Name4-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile
PubChem CID135567716
Molecular FormulaC19H11N5O3
Molecular Weight357.33 g/mol
Exact Mass357.09
IUPAC Name4-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile
SMILESN#Cc1cc(N/N=C/c2c(O)ccc3ccccc23)c([N+](=O)[O-])cc1C#N
InChIInChI=1S/C19H11N5O3/c20-9-13-7-17(18(24(26)27)8-14(13)10-21)23-22-11-16-15-4-2-1-3-12(15)5-6-19(16)25/h1-8,11,23,25H/b22-11+
InChIKeyMDYPMCKRZMSPNW-SSDVNMTOSA-N
XLogP3.64
TPSA135.34 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'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

1-[(E)-[(4-morpholin-4-ylsulfonyl-2-nitrophenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 135716394
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-4-methyl-3-nitrobenzamide
CID 135716656
4-[(2Z)-2-[(3,5-dichloro-2-hydroxyphenyl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile
CID 136678563
1-[[(2,4-difluorophenyl)hydrazinylidene]methyl]naphthalen-2-ol
CID 3286137
1-[(Z)-[[4-(ethylamino)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinylidene]methyl]naphthalen-2-ol
CID 137156839
1,3-bis[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 136829549
1,3-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]urea
CID 135533440
N-[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]-3-[(4-nitrobenzoyl)amino]benzamide
CID 135567648
4-nitro-5-[(E)-(phenylhydrazinylidene)methyl]benzene-1,2-dicarbonitrile
CID 51138518
1-[(Z)-(quinolin-8-ylhydrazinylidene)methyl]naphthalen-2-ol
CID 136913864
N,N'-bis[(E)-(2-hydroxynaphthalen-1-yl)methylideneamino]propanediamide
CID 135615439
5-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-3-methylsulfanyl-1,2-thiazole-4-carbonitrile
CID 135508996

Frequently Asked Questions

What is the IUPAC name of 4-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile?
The IUPAC name of 4-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile (CID 135567716) is 4-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile.
What is the SMILES notation for 4-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile?
The canonical SMILES for 4-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile is N#Cc1cc(N/N=C/c2c(O)ccc3ccccc23)c([N+](=O)[O-])cc1C#N.
What is the InChIKey of 4-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile?
The InChIKey is MDYPMCKRZMSPNW-SSDVNMTOSA-N. The full InChI is InChI=1S/C19H11N5O3/c20-9-13-7-17(18(24(26)27)8-14(13)10-21)23-22-11-16-15-4-2-1-3-12(15)5-6-19(16)25/h1-8,11,23,25H/b22-11+.
What are the key properties of 4-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile?
4-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile has a molecular weight of 357.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2E)-2-[(2-hydroxynaphthalen-1-yl)methylidene]hydrazinyl]-5-nitrobenzene-1,2-dicarbonitrile is sourced from PubChem (CID 135567716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).