(4-nitrophenyl) N-pyridin-2-ylcarbamate

C12H9N3O4 — CID 10332773

IUPAC(4-nitrophenyl) N-pyridin-2-ylcarbamate
SMILESO=C(Nc1ccccn1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H9N3O4/c16-12(14-11-3-1-2-8-13-11)19-10-6-4-9(5-7-10)15(17)18/h1-8H,(H,13,14,16)
InChIKeyNJGCHMFTCBOWSA-UHFFFAOYSA-N
MW259.22 g/mol
LogP2.60
Rot. Bonds3

About (4-nitrophenyl) N-pyridin-2-ylcarbamate

(4-nitrophenyl) N-pyridin-2-ylcarbamate (PubChem CID 10332773) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is (4-nitrophenyl) N-pyridin-2-ylcarbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-pyridin-2-ylcarbamate
PubChem CID10332773
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name(4-nitrophenyl) N-pyridin-2-ylcarbamate
SMILESO=C(Nc1ccccn1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H9N3O4/c16-12(14-11-3-1-2-8-13-11)19-10-6-4-9(5-7-10)15(17)18/h1-8H,(H,13,14,16)
InChIKeyNJGCHMFTCBOWSA-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

(4-nitrophenyl) N-pyridin-4-ylcarbamate
CID 10355188
(4-nitrophenyl) N-(2,6-dichloropyrimidin-4-yl)carbamate
CID 155292903
(4-nitrophenyl) N-[4-(2-fluoro-4-nitrophenoxy)-2-pyridinyl]carbamate
CID 59822966
(5-nitro-3-phenyl-1H-indol-2-yl) N-pyridin-2-ylcarbamate
CID 68849329
5-nitro-1-N,3-N-dipyridin-2-ylbenzene-1,3-dicarboxamide
CID 3383086
(4-nitrophenyl) N-pyrimidin-5-ylcarbamate
CID 59536323
(4-nitrophenyl) N-(6-chloro-5-methyl-2-pyridinyl)carbamate
CID 140879711
(3-methoxyphenyl) N-pyridin-2-ylcarbamate
CID 102435207
4-(4-nitrophenoxy)-N-pyridin-2-ylbenzenesulfonamide
CID 1378990
(4-nitrophenyl) N-[4-[tris(4-tert-butylphenyl)methyl]phenyl]carbamate
CID 11411276
(4-nitrophenyl) N-(2-pyrrolidin-1-ylphenyl)carbamate
CID 67033509
(4-nitrophenyl) N-(1,3-benzothiazol-6-yl)carbamate
CID 59671611

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-pyridin-2-ylcarbamate?
The IUPAC name of (4-nitrophenyl) N-pyridin-2-ylcarbamate (CID 10332773) is (4-nitrophenyl) N-pyridin-2-ylcarbamate.
What is the SMILES notation for (4-nitrophenyl) N-pyridin-2-ylcarbamate?
The canonical SMILES for (4-nitrophenyl) N-pyridin-2-ylcarbamate is O=C(Nc1ccccn1)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) N-pyridin-2-ylcarbamate?
The InChIKey is NJGCHMFTCBOWSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4/c16-12(14-11-3-1-2-8-13-11)19-10-6-4-9(5-7-10)15(17)18/h1-8H,(H,13,14,16).
What are the key properties of (4-nitrophenyl) N-pyridin-2-ylcarbamate?
(4-nitrophenyl) N-pyridin-2-ylcarbamate 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 (4-nitrophenyl) N-pyridin-2-ylcarbamate is sourced from PubChem (CID 10332773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).