(2-nitro-3-pyridinyl) N-methylcarbamate

C7H7N3O4 — CID 45116340

IUPAC(2-nitro-3-pyridinyl) N-methylcarbamate
SMILESCNC(=O)Oc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O4/c1-8-7(11)14-5-3-2-4-9-6(5)10(12)13/h2-4H,1H3,(H,8,11)
InChIKeyICLNNCGQGBDWIP-UHFFFAOYSA-N
MW197.15 g/mol
LogP0.71
Rot. Bonds2

About (2-nitro-3-pyridinyl) N-methylcarbamate

(2-nitro-3-pyridinyl) N-methylcarbamate (PubChem CID 45116340) has the molecular formula C7H7N3O4 and a molecular weight of 197.15 g/mol. Its IUPAC name is (2-nitro-3-pyridinyl) N-methylcarbamate.

Molecular Properties

Compound Name(2-nitro-3-pyridinyl) N-methylcarbamate
PubChem CID45116340
Molecular FormulaC7H7N3O4
Molecular Weight197.15 g/mol
Exact Mass197.04
IUPAC Name(2-nitro-3-pyridinyl) N-methylcarbamate
SMILESCNC(=O)Oc1cccnc1[N+](=O)[O-]
InChIInChI=1S/C7H7N3O4/c1-8-7(11)14-5-3-2-4-9-6(5)10(12)13/h2-4H,1H3,(H,8,11)
InChIKeyICLNNCGQGBDWIP-UHFFFAOYSA-N
XLogP0.71
TPSA94.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.15
LogP ≤ 50.71
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

methyl (2-nitro-3-pyridinyl) carbonate
CID 45116378
(2-nitro-3-pyridinyl) N-chlorosulfonylcarbamate
CID 116799080
3-methoxy-2-nitropyridine
CID 556063
N-(2-methylpropyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 3895625
methyl 2-methyl-4-[(2-nitro-3-pyridinyl)oxy]but-2-enoate
CID 77074652
(2-nitro-3-pyridinyl)oxymethyl 3-methylbutanoate
CID 126825968
(3R)-3-[(2-nitro-3-pyridinyl)oxy]butanoic acid
CID 103547811
N-methyl-2-nitropyridin-3-amine
CID 555983
2-[(2-nitro-3-pyridinyl)oxy]butanehydrazide
CID 55213215
2-[(2-nitro-3-pyridinyl)oxy]-N-phenylpropanamide
CID 18077545
N-(2-hydroxyethyl)-2-[(2-nitro-3-pyridinyl)oxy]acetamide
CID 43509914
benzo[h]quinolin-10-yl N-methylcarbamate
CID 139035586

Frequently Asked Questions

What is the IUPAC name of (2-nitro-3-pyridinyl) N-methylcarbamate?
The IUPAC name of (2-nitro-3-pyridinyl) N-methylcarbamate (CID 45116340) is (2-nitro-3-pyridinyl) N-methylcarbamate.
What is the SMILES notation for (2-nitro-3-pyridinyl) N-methylcarbamate?
The canonical SMILES for (2-nitro-3-pyridinyl) N-methylcarbamate is CNC(=O)Oc1cccnc1[N+](=O)[O-].
What is the InChIKey of (2-nitro-3-pyridinyl) N-methylcarbamate?
The InChIKey is ICLNNCGQGBDWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O4/c1-8-7(11)14-5-3-2-4-9-6(5)10(12)13/h2-4H,1H3,(H,8,11).
What are the key properties of (2-nitro-3-pyridinyl) N-methylcarbamate?
(2-nitro-3-pyridinyl) N-methylcarbamate has a molecular weight of 197.15 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-nitro-3-pyridinyl) N-methylcarbamate is sourced from PubChem (CID 45116340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).