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

C12H9N3O4 — CID 10355188

IUPAC(4-nitrophenyl) N-pyridin-4-ylcarbamate
SMILESO=C(Nc1ccncc1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H9N3O4/c16-12(14-9-5-7-13-8-6-9)19-11-3-1-10(2-4-11)15(17)18/h1-8H,(H,13,14,16)
InChIKeyZUGBHSQFEVLEEI-UHFFFAOYSA-N
MW259.22 g/mol
LogP2.60
Rot. Bonds3

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

(4-nitrophenyl) N-pyridin-4-ylcarbamate (PubChem CID 10355188) has the molecular formula C12H9N3O4 and a molecular weight of 259.22 g/mol. Its IUPAC name is (4-nitrophenyl) N-pyridin-4-ylcarbamate.

Molecular Properties

Compound Name(4-nitrophenyl) N-pyridin-4-ylcarbamate
PubChem CID10355188
Molecular FormulaC12H9N3O4
Molecular Weight259.22 g/mol
Exact Mass259.06
IUPAC Name(4-nitrophenyl) N-pyridin-4-ylcarbamate
SMILESO=C(Nc1ccncc1)Oc1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C12H9N3O4/c16-12(14-9-5-7-13-8-6-9)19-11-3-1-10(2-4-11)15(17)18/h1-8H,(H,13,14,16)
InChIKeyZUGBHSQFEVLEEI-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-pyrimidin-5-ylcarbamate
CID 59536323
(4-nitrophenyl) N-[4-[tris(4-tert-butylphenyl)methyl]phenyl]carbamate
CID 11411276
(4-nitrophenyl) N-pyridin-2-ylcarbamate
CID 10332773
[4-[(4-nitrophenoxy)carbonylamino]phenyl]methylcarbamic acid
CID 174223547
methyl 3-[(4-nitrophenoxy)carbonylamino]benzoate
CID 19081261
(4-nitrophenyl) N-(1H-indol-5-yl)carbamate
CID 57343439
(4-nitrophenyl) N-(1,3-benzothiazol-6-yl)carbamate
CID 59671611
(4-nitrophenyl) N-[3-amino-4-(trifluoromethyl)phenyl]carbamate
CID 121257466
methyl 2-methoxy-5-[(4-nitrophenoxy)carbonylamino]benzoate
CID 58572101
(4-nitrophenyl) N-[3-(4-formylphenyl)phenyl]carbamate
CID 142150976
(4-nitrophenyl) N-[3-(1,2,4-oxadiazol-5-yl)phenyl]carbamate
CID 57265169
(4-nitrophenyl) N-(2,6-dichloropyrimidin-4-yl)carbamate
CID 155292903

Frequently Asked Questions

What is the IUPAC name of (4-nitrophenyl) N-pyridin-4-ylcarbamate?
The IUPAC name of (4-nitrophenyl) N-pyridin-4-ylcarbamate (CID 10355188) is (4-nitrophenyl) N-pyridin-4-ylcarbamate.
What is the SMILES notation for (4-nitrophenyl) N-pyridin-4-ylcarbamate?
The canonical SMILES for (4-nitrophenyl) N-pyridin-4-ylcarbamate is O=C(Nc1ccncc1)Oc1ccc([N+](=O)[O-])cc1.
What is the InChIKey of (4-nitrophenyl) N-pyridin-4-ylcarbamate?
The InChIKey is ZUGBHSQFEVLEEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4/c16-12(14-9-5-7-13-8-6-9)19-11-3-1-10(2-4-11)15(17)18/h1-8H,(H,13,14,16).
What are the key properties of (4-nitrophenyl) N-pyridin-4-ylcarbamate?
(4-nitrophenyl) N-pyridin-4-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-4-ylcarbamate is sourced from PubChem (CID 10355188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).