phenyl N-(6-nitro-3-pyridinyl)carbamate

C12H9N3O4 — CID 141417930

IUPACphenyl N-(6-nitro-3-pyridinyl)carbamate
SMILESO=C(Nc1ccc([N+](=O)[O-])nc1)Oc1ccccc1
InChIInChI=1S/C12H9N3O4/c16-12(19-10-4-2-1-3-5-10)14-9-6-7-11(13-8-9)15(17)18/h1-8H,(H,14,16)
InChIKeyDOXQQBCYOXTCQM-UHFFFAOYSA-N
MW259.22 g/mol
LogP2.60
Rot. Bonds3

About phenyl N-(6-nitro-3-pyridinyl)carbamate

phenyl N-(6-nitro-3-pyridinyl)carbamate (PubChem CID 141417930) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is phenyl N-(6-nitro-3-pyridinyl)carbamate.

Molecular Properties

Compound Namephenyl N-(6-nitro-3-pyridinyl)carbamate
PubChem CID141417930
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Namephenyl N-(6-nitro-3-pyridinyl)carbamate
SMILESO=C(Nc1ccc([N+](=O)[O-])nc1)Oc1ccccc1
InChIInChI=1S/C12H9N3O4/c16-12(19-10-4-2-1-3-5-10)14-9-6-7-11(13-8-9)15(17)18/h1-8H,(H,14,16)
InChIKeyDOXQQBCYOXTCQM-UHFFFAOYSA-N
XLogP2.60
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
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

phenyl N-(6-fluoro-3-pyridinyl)carbamate
CID 59313675
phenyl N-[6-(hydroxymethyl)-3-pyridinyl]carbamate
CID 86676127
1-[3-[(6-nitro-3-pyridinyl)oxy]phenyl]-3-phenylurea
CID 166064685
phenyl N-(4-methoxy-3-nitrophenyl)carbamate
CID 12877201
phenyl N-(4-iodophenyl)carbamate
CID 73442286
3-nitro-5-[4-(phenoxycarbonylamino)phenyl]benzoic acid
CID 178084104
2-[(6-nitro-3-pyridinyl)amino]acetamide
CID 62544384
3,4,5-trimethoxy-N-(6-nitro-3-pyridinyl)benzamide
CID 51045015
(4-nitrophenyl) N-pyrimidin-5-ylcarbamate
CID 59536323
phenyl N-[6-[(2R)-2-methylpyrrolidin-1-yl]-3-pyridinyl]carbamate
CID 169322862
phenyl N-(4-carbamoylphenyl)carbamate
CID 60631229
3-methoxy-2-[(6-nitro-3-pyridinyl)amino]propanoic acid
CID 81078858

Frequently Asked Questions

What is the IUPAC name of phenyl N-(6-nitro-3-pyridinyl)carbamate?
The IUPAC name of phenyl N-(6-nitro-3-pyridinyl)carbamate (CID 141417930) is phenyl N-(6-nitro-3-pyridinyl)carbamate.
What is the SMILES notation for phenyl N-(6-nitro-3-pyridinyl)carbamate?
The canonical SMILES for phenyl N-(6-nitro-3-pyridinyl)carbamate is O=C(Nc1ccc([N+](=O)[O-])nc1)Oc1ccccc1.
What is the InChIKey of phenyl N-(6-nitro-3-pyridinyl)carbamate?
The InChIKey is DOXQQBCYOXTCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4/c16-12(19-10-4-2-1-3-5-10)14-9-6-7-11(13-8-9)15(17)18/h1-8H,(H,14,16).
What are the key properties of phenyl N-(6-nitro-3-pyridinyl)carbamate?
phenyl N-(6-nitro-3-pyridinyl)carbamate has a molecular weight of 259.22 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-(6-nitro-3-pyridinyl)carbamate is sourced from PubChem (CID 141417930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).