(5-nitro-6-propan-2-yl-3-pyridinyl) formate

C9H10N2O4 — CID 129062075

IUPAC(5-nitro-6-propan-2-yl-3-pyridinyl) formate
SMILESCC(C)c1ncc(OC=O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O4/c1-6(2)9-8(11(13)14)3-7(4-10-9)15-5-12/h3-6H,1-2H3
InChIKeyMRHZZDYHGVGZDO-UHFFFAOYSA-N
MW210.19 g/mol
LogP1.65
Rot. Bonds4

About (5-nitro-6-propan-2-yl-3-pyridinyl) formate

(5-nitro-6-propan-2-yl-3-pyridinyl) formate (PubChem CID 129062075) has the molecular formula C9H10N2O4 and a molecular weight of 210.19 g/mol. Its IUPAC name is (5-nitro-6-propan-2-yl-3-pyridinyl) formate.

Molecular Properties

Compound Name(5-nitro-6-propan-2-yl-3-pyridinyl) formate
PubChem CID129062075
Molecular FormulaC9H10N2O4
Molecular Weight210.19 g/mol
Exact Mass210.06
IUPAC Name(5-nitro-6-propan-2-yl-3-pyridinyl) formate
SMILESCC(C)c1ncc(OC=O)cc1[N+](=O)[O-]
InChIInChI=1S/C9H10N2O4/c1-6(2)9-8(11(13)14)3-7(4-10-9)15-5-12/h3-6H,1-2H3
InChIKeyMRHZZDYHGVGZDO-UHFFFAOYSA-N
XLogP1.65
TPSA82.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(difluoromethyl)-5-methoxy-3-nitropyridine
CID 118843391
(4-ethyl-3-nitrophenyl) formate
CID 157109477
5-bromo-2-(2-bromo-4-methylpentan-3-yl)-3-nitropyridine
CID 63205269
3-(5-bromo-3-nitro-2-pyridinyl)butan-2-one
CID 63196866
chloromethane;(4-nitrophenyl) formate
CID 143083318
2-(3-chloropentan-2-yl)-5-methyl-3-nitropyridine
CID 66278767
2-(2-chloropentan-3-yl)-5-methyl-3-nitropyridine
CID 66277888
(3,5-dinitro-2-pyridinyl)-ethoxymethanol
CID 10847791
(E)-2-[5-(difluoromethoxy)-3-nitro-2-pyridinyl]-N,N-dimethylethenamine
CID 162421572
(1S)-1-(5-methyl-3-nitro-2-pyridinyl)propan-1-amine
CID 130610698
5-methyl-3-nitro-2-propan-2-yloxypyridine
CID 124704568
6-methoxy-3-nitro-2-propan-2-ylpyridine
CID 146296357

Frequently Asked Questions

What is the IUPAC name of (5-nitro-6-propan-2-yl-3-pyridinyl) formate?
The IUPAC name of (5-nitro-6-propan-2-yl-3-pyridinyl) formate (CID 129062075) is (5-nitro-6-propan-2-yl-3-pyridinyl) formate.
What is the SMILES notation for (5-nitro-6-propan-2-yl-3-pyridinyl) formate?
The canonical SMILES for (5-nitro-6-propan-2-yl-3-pyridinyl) formate is CC(C)c1ncc(OC=O)cc1[N+](=O)[O-].
What is the InChIKey of (5-nitro-6-propan-2-yl-3-pyridinyl) formate?
The InChIKey is MRHZZDYHGVGZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4/c1-6(2)9-8(11(13)14)3-7(4-10-9)15-5-12/h3-6H,1-2H3.
What are the key properties of (5-nitro-6-propan-2-yl-3-pyridinyl) formate?
(5-nitro-6-propan-2-yl-3-pyridinyl) formate has a molecular weight of 210.19 g/mol, XLogP of 1.65, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitro-6-propan-2-yl-3-pyridinyl) formate is sourced from PubChem (CID 129062075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).