2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine

C7H5N3O3S — CID 76850301

IUPAC2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine
SMILESCOc1nc2ncc([N+](=O)[O-])cc2s1
InChIInChI=1S/C7H5N3O3S/c1-13-7-9-6-5(14-7)2-4(3-8-6)10(11)12/h2-3H,1H3
InChIKeyXCMCKGQMLQJLAM-UHFFFAOYSA-N
MW211.20 g/mol
LogP1.61
Rot. Bonds2

About 2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine

2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 76850301) has the molecular formula C7H5N3O3S and a molecular weight of 211.20 g/mol. Its IUPAC name is 2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine
PubChem CID76850301
Molecular FormulaC7H5N3O3S
Molecular Weight211.20 g/mol
Exact Mass211.01
IUPAC Name2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine
SMILESCOc1nc2ncc([N+](=O)[O-])cc2s1
InChIInChI=1S/C7H5N3O3S/c1-13-7-9-6-5(14-7)2-4(3-8-6)10(11)12/h2-3H,1H3
InChIKeyXCMCKGQMLQJLAM-UHFFFAOYSA-N
XLogP1.61
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.20
LogP ≤ 51.61
H-Bond Donors ≤ 50
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-methoxy-6-nitro-1,3-benzothiazole
CID 638562
2-methyl-6-nitro-[1,3]thiazolo[5,4-b]pyridine
CID 44613613
2-N,4-N-dimethyl-3,6-dinitro-1,8-naphthyridine-2,4-diamine
CID 15448616
2-methoxy-5-nitro-3-propan-2-ylpyridine
CID 175836556
3-methoxy-N-methyl-5-nitropyridin-2-amine
CID 90022055
2-[(6-methoxy-3-pyridinyl)methylamino]-5-nitropyridine-3-carbonitrile
CID 60710968
2-chloro-6-nitro-[1,3]oxazolo[4,5-b]pyridine
CID 105452506
N-[(6-methoxy-3-pyridinyl)methyl]-4-nitropyridin-2-amine
CID 62490095
13-nitro-17-thia-15-azatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12,14-octaene
CID 10858874
3-(4-methyl-6-nitro-1,8-naphthyridin-2-yl)-5-nitropyridin-2-amine
CID 44550526
2-methyl-5-nitropyrazolo[3,4-b]pyridin-3-amine
CID 171705544
N-(2,5-dimethoxyphenyl)-5-nitropyridin-2-amine
CID 3750418

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine (CID 76850301) is 2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine is COc1nc2ncc([N+](=O)[O-])cc2s1.
What is the InChIKey of 2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is XCMCKGQMLQJLAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N3O3S/c1-13-7-9-6-5(14-7)2-4(3-8-6)10(11)12/h2-3H,1H3.
What are the key properties of 2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine?
2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 211.20 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-6-nitro-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 76850301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).