2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile

C14H13N5O2 — CID 80903969

IUPAC2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile
SMILESN#CCc1ccc(Nc2cccc(NN)c2[N+](=O)[O-])cc1
InChIInChI=1S/C14H13N5O2/c15-9-8-10-4-6-11(7-5-10)17-12-2-1-3-13(18-16)14(12)19(20)21/h1-7,17-18H,8,16H2
InChIKeyBNRMORUKHBPNLF-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.69
Rot. Bonds5

About 2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile

2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile (PubChem CID 80903969) has the molecular formula C14H13N5O2 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile.

Molecular Properties

Compound Name2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile
PubChem CID80903969
Molecular FormulaC14H13N5O2
Molecular Weight283.29 g/mol
Exact Mass283.11
IUPAC Name2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile
SMILESN#CCc1ccc(Nc2cccc(NN)c2[N+](=O)[O-])cc1
InChIInChI=1S/C14H13N5O2/c15-9-8-10-4-6-11(7-5-10)17-12-2-1-3-13(18-16)14(12)19(20)21/h1-7,17-18H,8,16H2
InChIKeyBNRMORUKHBPNLF-UHFFFAOYSA-N
XLogP2.69
TPSA117.01 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', '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

N-(2,6-dibromophenyl)-3-hydrazinyl-2-nitroaniline
CID 107604853
N-(2-fluorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80927963
N-(2,3-dichlorophenyl)-3-hydrazinyl-2-nitroaniline
CID 80917166
1-N-ethyl-3-N-(4-ethylphenyl)-2-nitrobenzene-1,3-diamine
CID 80750618
3-hydrazinyl-N-(2-methylsulfanylphenyl)-2-nitroaniline
CID 107647332
2-amino-3-[4-(cyanomethyl)anilino]benzoic acid
CID 115545834
2-[4-[4-(cyanomethyl)anilino]phenyl]acetonitrile
CID 170886404
3-hydrazinyl-N-(3-methylsulfanylphenyl)-2-nitroaniline
CID 80930417
3-chloro-N-(4-ethylphenyl)-2-nitroaniline
CID 113459244
4-bromo-2,3-dichloro-N-(3-hydrazinyl-2-nitrophenyl)aniline
CID 107795411
methyl 2-amino-3-[4-(cyanomethyl)anilino]benzoate
CID 115545835
3-N-(4-methoxyphenyl)-1-N-methyl-2-nitrobenzene-1,3-diamine
CID 80768624

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile?
The IUPAC name of 2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile (CID 80903969) is 2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile.
What is the SMILES notation for 2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile?
The canonical SMILES for 2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile is N#CCc1ccc(Nc2cccc(NN)c2[N+](=O)[O-])cc1.
What is the InChIKey of 2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile?
The InChIKey is BNRMORUKHBPNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O2/c15-9-8-10-4-6-11(7-5-10)17-12-2-1-3-13(18-16)14(12)19(20)21/h1-7,17-18H,8,16H2.
What are the key properties of 2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile?
2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile has a molecular weight of 283.29 g/mol, XLogP of 2.69, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-hydrazinyl-2-nitroanilino)phenyl]acetonitrile is sourced from PubChem (CID 80903969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).