2-(2-amino-5-nitroanilino)-5-methylphenol;cobalt

C13H13CoN3O3 — CID 175409061

IUPAC2-(2-amino-5-nitroanilino)-5-methylphenol;cobalt
SMILESCc1ccc(Nc2cc([N+](=O)[O-])ccc2N)c(O)c1.[Co]
InChIInChI=1S/C13H13N3O3.Co/c1-8-2-5-11(13(17)6-8)15-12-7-9(16(18)19)3-4-10(12)14;/h2-7,15,17H,14H2,1H3;
InChIKeyAAAXARAYDNPEJR-UHFFFAOYSA-N
MW318.20 g/mol
LogP2.93
Rot. Bonds3

About 2-(2-amino-5-nitroanilino)-5-methylphenol;cobalt

2-(2-amino-5-nitroanilino)-5-methylphenol;cobalt (PubChem CID 175409061) has the molecular formula C13H13CoN3O3 and a molecular weight of 318.20 g/mol. Its IUPAC name is 2-(2-amino-5-nitroanilino)-5-methylphenol;cobalt.

Molecular Properties

Compound Name2-(2-amino-5-nitroanilino)-5-methylphenol;cobalt
PubChem CID175409061
Molecular FormulaC13H13CoN3O3
Molecular Weight318.20 g/mol
Exact Mass318.03
IUPAC Name2-(2-amino-5-nitroanilino)-5-methylphenol;cobalt
SMILESCc1ccc(Nc2cc([N+](=O)[O-])ccc2N)c(O)c1.[Co]
InChIInChI=1S/C13H13N3O3.Co/c1-8-2-5-11(13(17)6-8)15-12-7-9(16(18)19)3-4-10(12)14;/h2-7,15,17H,14H2,1H3;
InChIKeyAAAXARAYDNPEJR-UHFFFAOYSA-N
XLogP2.93
TPSA101.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.20
LogP ≤ 52.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'catechol', '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-N-(2-bromo-5-methylphenyl)-4-nitrobenzene-1,2-diamine
CID 82761474
N-(2-amino-5-methylphenyl)-N'-(2-methoxy-5-nitrophenyl)oxamide
CID 108532452
N'-(2-amino-5-methylphenyl)-N-(2-methoxy-4-nitrophenyl)oxamide
CID 108513088
2-amino-N-(2-fluoro-5-nitrophenyl)-5-methylbenzamide
CID 62510366
N-(2-amino-4-nitrophenyl)-4-methylbenzamide
CID 3538621
ethyl N-[2-(5-chloro-2-hydroxyanilino)-5-nitrophenyl]carbamate
CID 19771102
2-(2,4-dimethylanilino)-5-nitrobenzonitrile
CID 9187363
2-(2-amino-4-nitroanilino)-4-chlorophenol;hydrochloride
CID 19771126
3-(2,6-dimethylanilino)-4-(2-hydroxy-4-nitroanilino)cyclobut-3-ene-1,2-dione
CID 59068113
2-[1-(2-chloro-5-nitroanilino)ethyl]-5-methylphenol
CID 43718767
1-N-(4-fluoro-2-methylphenyl)-4-nitrobenzene-1,2-diamine
CID 55079971
1-N-(5-fluoro-2-methylphenyl)-4-nitrobenzene-1,2-diamine
CID 55079970

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-nitroanilino)-5-methylphenol;cobalt?
The IUPAC name of 2-(2-amino-5-nitroanilino)-5-methylphenol;cobalt (CID 175409061) is 2-(2-amino-5-nitroanilino)-5-methylphenol;cobalt.
What is the SMILES notation for 2-(2-amino-5-nitroanilino)-5-methylphenol;cobalt?
The canonical SMILES for 2-(2-amino-5-nitroanilino)-5-methylphenol;cobalt is Cc1ccc(Nc2cc([N+](=O)[O-])ccc2N)c(O)c1.[Co].
What is the InChIKey of 2-(2-amino-5-nitroanilino)-5-methylphenol;cobalt?
The InChIKey is AAAXARAYDNPEJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O3.Co/c1-8-2-5-11(13(17)6-8)15-12-7-9(16(18)19)3-4-10(12)14;/h2-7,15,17H,14H2,1H3;.
What are the key properties of 2-(2-amino-5-nitroanilino)-5-methylphenol;cobalt?
2-(2-amino-5-nitroanilino)-5-methylphenol;cobalt has a molecular weight of 318.20 g/mol, XLogP of 2.93, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-nitroanilino)-5-methylphenol;cobalt is sourced from PubChem (CID 175409061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).