(2-amino-5-nitrophenyl) formate

C7H6N2O4 — CID 174961897

IUPAC(2-amino-5-nitrophenyl) formate
SMILESNc1ccc([N+](=O)[O-])cc1OC=O
InChIInChI=1S/C7H6N2O4/c8-6-2-1-5(9(11)12)3-7(6)13-4-10/h1-4H,8H2
InChIKeyRDWLJPCPFABHDN-UHFFFAOYSA-N
MW182.14 g/mol
LogP0.71
Rot. Bonds3

About (2-amino-5-nitrophenyl) formate

(2-amino-5-nitrophenyl) formate (PubChem CID 174961897) has the molecular formula C7H6N2O4 and a molecular weight of 182.14 g/mol. Its IUPAC name is (2-amino-5-nitrophenyl) formate.

Molecular Properties

Compound Name(2-amino-5-nitrophenyl) formate
PubChem CID174961897
Molecular FormulaC7H6N2O4
Molecular Weight182.14 g/mol
Exact Mass182.03
IUPAC Name(2-amino-5-nitrophenyl) formate
SMILESNc1ccc([N+](=O)[O-])cc1OC=O
InChIInChI=1S/C7H6N2O4/c8-6-2-1-5(9(11)12)3-7(6)13-4-10/h1-4H,8H2
InChIKeyRDWLJPCPFABHDN-UHFFFAOYSA-N
XLogP0.71
TPSA95.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'aniline', '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

4-nitro-2-(trifluoromethoxy)aniline
CID 56973585
1-(2-amino-5-nitrophenoxy)ethanol
CID 70496099
aniline;2-methoxy-4-nitroaniline
CID 154966148
(2-chloro-6-nitroquinolin-3-yl) formate
CID 174977503
2-(1-methylcyclohexyl)oxy-4-nitroaniline
CID 68584878
2-[2-(2-ethoxyethoxy)ethoxy]-4-nitroaniline
CID 70584050
2-[(4-chlorophenyl)methoxy]-4-nitroaniline
CID 15181471
chloromethane;(4-nitrophenyl) formate
CID 143083318
(2-formyl-5-nitrophenyl) hypobromite
CID 174599532
2-methoxy-4-nitrobenzaldehyde
CID 2759599
2-(2,5-dinitrophenoxy)-1,4-dinitrobenzene
CID 139890648
4-chloro-2-(2-chloro-4-nitrophenoxy)aniline
CID 67390461

Frequently Asked Questions

What is the IUPAC name of (2-amino-5-nitrophenyl) formate?
The IUPAC name of (2-amino-5-nitrophenyl) formate (CID 174961897) is (2-amino-5-nitrophenyl) formate.
What is the SMILES notation for (2-amino-5-nitrophenyl) formate?
The canonical SMILES for (2-amino-5-nitrophenyl) formate is Nc1ccc([N+](=O)[O-])cc1OC=O.
What is the InChIKey of (2-amino-5-nitrophenyl) formate?
The InChIKey is RDWLJPCPFABHDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4/c8-6-2-1-5(9(11)12)3-7(6)13-4-10/h1-4H,8H2.
What are the key properties of (2-amino-5-nitrophenyl) formate?
(2-amino-5-nitrophenyl) formate has a molecular weight of 182.14 g/mol, XLogP of 0.71, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-5-nitrophenyl) formate is sourced from PubChem (CID 174961897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).