(5-nitro-2-pyridinyl) N-(4-chloro-2-methoxyphenyl)carbamate

C13H10ClN3O5 — CID 5072040

IUPAC(5-nitro-2-pyridinyl) N-(4-chloro-2-methoxyphenyl)carbamate
SMILESCOc1cc(Cl)ccc1NC(=O)Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H10ClN3O5/c1-21-11-6-8(14)2-4-10(11)16-13(18)22-12-5-3-9(7-15-12)17(19)20/h2-7H,1H3,(H,16,18)
InChIKeyWARYIYZDYKOMRG-UHFFFAOYSA-N
MW323.69 g/mol
LogP3.26
Rot. Bonds4

About (5-nitro-2-pyridinyl) N-(4-chloro-2-methoxyphenyl)carbamate

(5-nitro-2-pyridinyl) N-(4-chloro-2-methoxyphenyl)carbamate (PubChem CID 5072040) has the molecular formula C13H10ClN3O5 and a molecular weight of 323.69 g/mol. Its IUPAC name is (5-nitro-2-pyridinyl) N-(4-chloro-2-methoxyphenyl)carbamate.

Molecular Properties

Compound Name(5-nitro-2-pyridinyl) N-(4-chloro-2-methoxyphenyl)carbamate
PubChem CID5072040
Molecular FormulaC13H10ClN3O5
Molecular Weight323.69 g/mol
Exact Mass323.03
IUPAC Name(5-nitro-2-pyridinyl) N-(4-chloro-2-methoxyphenyl)carbamate
SMILESCOc1cc(Cl)ccc1NC(=O)Oc1ccc([N+](=O)[O-])cn1
InChIInChI=1S/C13H10ClN3O5/c1-21-11-6-8(14)2-4-10(11)16-13(18)22-12-5-3-9(7-15-12)17(19)20/h2-7H,1H3,(H,16,18)
InChIKeyWARYIYZDYKOMRG-UHFFFAOYSA-N
XLogP3.26
TPSA103.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.69
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

(2-chloro-4-nitrophenyl) N-(5-chloro-2,4-dimethoxyphenyl)carbamate
CID 4121365
1-(5-chloro-2-methoxyphenyl)-3-(2-methoxy-4-nitrophenyl)urea
CID 108875488
methyl 5-chloro-2-[(5-nitro-2-pyridinyl)oxy]benzoate
CID 69420575
2-(2,4-dichlorophenoxy)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2903084
2-(4-chloro-2-methylphenoxy)-5-nitropyridine
CID 2800136
2-(4-chlorophenyl)-N-(2-methoxy-4-nitrophenyl)acetamide
CID 2892197
N-(4-chloro-2-methoxyphenyl)acetamide
CID 593884
(2S)-2-(4-chloro-2-methylphenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7409517
(2S)-2-(4-chloro-2-nitrophenoxy)-N-(2-methoxy-4-nitrophenyl)propanamide
CID 7990835
1-(5-chloro-2-methoxyphenyl)-3-(4-nitrophenyl)urea
CID 108875489
1-(5-chloro-2-hydroxyphenyl)-3-(2-methoxy-4-nitrophenyl)thiourea
CID 127074411
tert-butyl N-[4-chloro-2-fluoro-5-[(5-nitro-2-pyridinyl)oxy]phenyl]carbamate
CID 91123393

Frequently Asked Questions

What is the IUPAC name of (5-nitro-2-pyridinyl) N-(4-chloro-2-methoxyphenyl)carbamate?
The IUPAC name of (5-nitro-2-pyridinyl) N-(4-chloro-2-methoxyphenyl)carbamate (CID 5072040) is (5-nitro-2-pyridinyl) N-(4-chloro-2-methoxyphenyl)carbamate.
What is the SMILES notation for (5-nitro-2-pyridinyl) N-(4-chloro-2-methoxyphenyl)carbamate?
The canonical SMILES for (5-nitro-2-pyridinyl) N-(4-chloro-2-methoxyphenyl)carbamate is COc1cc(Cl)ccc1NC(=O)Oc1ccc([N+](=O)[O-])cn1.
What is the InChIKey of (5-nitro-2-pyridinyl) N-(4-chloro-2-methoxyphenyl)carbamate?
The InChIKey is WARYIYZDYKOMRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O5/c1-21-11-6-8(14)2-4-10(11)16-13(18)22-12-5-3-9(7-15-12)17(19)20/h2-7H,1H3,(H,16,18).
What are the key properties of (5-nitro-2-pyridinyl) N-(4-chloro-2-methoxyphenyl)carbamate?
(5-nitro-2-pyridinyl) N-(4-chloro-2-methoxyphenyl)carbamate has a molecular weight of 323.69 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitro-2-pyridinyl) N-(4-chloro-2-methoxyphenyl)carbamate is sourced from PubChem (CID 5072040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).