(2,4-dinitrophenyl)carbamic acid

C7H5N3O6 — CID 154114547

IUPAC(2,4-dinitrophenyl)carbamic acid
SMILESO=C(O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C7H5N3O6/c11-7(12)8-5-2-1-4(9(13)14)3-6(5)10(15)16/h1-3,8H,(H,11,12)
InChIKeyGOJBZDHEZUEWBO-UHFFFAOYSA-N
MW227.13 g/mol
LogP1.59
Rot. Bonds3

About (2,4-dinitrophenyl)carbamic acid

(2,4-dinitrophenyl)carbamic acid (PubChem CID 154114547) has the molecular formula C7H5N3O6 and a molecular weight of 227.13 g/mol. Its IUPAC name is (2,4-dinitrophenyl)carbamic acid.

Molecular Properties

Compound Name(2,4-dinitrophenyl)carbamic acid
PubChem CID154114547
Molecular FormulaC7H5N3O6
Molecular Weight227.13 g/mol
Exact Mass227.02
IUPAC Name(2,4-dinitrophenyl)carbamic acid
SMILESO=C(O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-]
InChIInChI=1S/C7H5N3O6/c11-7(12)8-5-2-1-4(9(13)14)3-6(5)10(15)16/h1-3,8H,(H,11,12)
InChIKeyGOJBZDHEZUEWBO-UHFFFAOYSA-N
XLogP1.59
TPSA135.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.13
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(2,4-dinitrophenyl)-3-nitrourea
CID 12548690
1-N,3-N-bis(2,4-dinitrophenyl)benzene-1,3-dicarboxamide
CID 628714
methyl 2-(2,4-dinitroanilino)-2-oxoacetate
CID 5251417
N-(2,4-dinitrophenyl)-3-nitrobenzamide
CID 3427628
(4-methylsulfonyl-2-nitrophenyl)carbamic acid
CID 155271572
N-(2,4-dinitrophenyl)-2-methyl-3-nitrobenzamide
CID 4674199
benzene;(2,4-dinitrophenyl)hydrazine
CID 159646359
2-(2,4-dinitroanilino)acetate
CID 4738135
(2,4-dinitrophenyl)hydrazine;propan-2-one
CID 162068337
6-[(2,4-dinitrophenyl)carbamoyl]pyridine-2-carboxylic acid
CID 102437083
2-(cyclopentylamino)-N-(2,4-dinitrophenyl)acetamide
CID 17066729
4-(2,4-dinitroanilino)-3-oxobutanoic acid
CID 155683066

Frequently Asked Questions

What is the IUPAC name of (2,4-dinitrophenyl)carbamic acid?
The IUPAC name of (2,4-dinitrophenyl)carbamic acid (CID 154114547) is (2,4-dinitrophenyl)carbamic acid.
What is the SMILES notation for (2,4-dinitrophenyl)carbamic acid?
The canonical SMILES for (2,4-dinitrophenyl)carbamic acid is O=C(O)Nc1ccc([N+](=O)[O-])cc1[N+](=O)[O-].
What is the InChIKey of (2,4-dinitrophenyl)carbamic acid?
The InChIKey is GOJBZDHEZUEWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O6/c11-7(12)8-5-2-1-4(9(13)14)3-6(5)10(15)16/h1-3,8H,(H,11,12).
What are the key properties of (2,4-dinitrophenyl)carbamic acid?
(2,4-dinitrophenyl)carbamic acid has a molecular weight of 227.13 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dinitrophenyl)carbamic acid is sourced from PubChem (CID 154114547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).