2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole

C9H6ClN3O3S — CID 79764993

IUPAC2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
SMILESO=[N+]([O-])c1ncccc1OCc1cnc(Cl)s1
InChIInChI=1S/C9H6ClN3O3S/c10-9-12-4-6(17-9)5-16-7-2-1-3-11-8(7)13(14)15/h1-4H,5H2
InChIKeyNGCPXTWXQAPCTL-UHFFFAOYSA-N
MW271.69 g/mol
LogP2.68
Rot. Bonds4

About 2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole

2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole (PubChem CID 79764993) has the molecular formula C9H6ClN3O3S and a molecular weight of 271.69 g/mol. Its IUPAC name is 2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole.

Molecular Properties

Compound Name2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
PubChem CID79764993
Molecular FormulaC9H6ClN3O3S
Molecular Weight271.69 g/mol
Exact Mass270.98
IUPAC Name2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole
SMILESO=[N+]([O-])c1ncccc1OCc1cnc(Cl)s1
InChIInChI=1S/C9H6ClN3O3S/c10-9-12-4-6(17-9)5-16-7-2-1-3-11-8(7)13(14)15/h1-4H,5H2
InChIKeyNGCPXTWXQAPCTL-UHFFFAOYSA-N
XLogP2.68
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.69
LogP ≤ 52.68
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-chloro-5-[(2-methyl-3-nitrophenoxy)methyl]-1,3-thiazole
CID 79764108
5-[(2-nitro-3-pyridinyl)oxymethyl]thiophene-2-carboxylic acid
CID 63380396
2-chloro-5-[(2-chloro-5-nitrophenoxy)methyl]-1,3-thiazole
CID 79764621
2-chloro-5-[(2-methoxy-4-nitrophenoxy)methyl]-1,3-thiazole
CID 79765252
3-(cyclopropylmethoxy)-2-nitropyridine
CID 90078181
3-methoxy-2-nitropyridine
CID 556063
5-[(2-nitro-3-pyridinyl)oxymethyl]-N-propylpyridin-2-amine
CID 62195013
1-chloro-3-[(2-nitro-3-pyridinyl)oxy]propan-2-ol
CID 112560608
3-[(2-fluoro-3-nitrophenyl)methoxy]-2-nitropyridine
CID 107348669
4-[(2-nitro-3-pyridinyl)oxymethyl]benzamide
CID 27351276
3-chloro-4-methyl-2-[(2-nitro-3-pyridinyl)oxymethyl]quinoline
CID 8648477
4-[(2-nitro-3-pyridinyl)oxymethyl]pyrimidine-5-carboxylic acid
CID 102973568

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole?
The IUPAC name of 2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole (CID 79764993) is 2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole.
What is the SMILES notation for 2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole?
The canonical SMILES for 2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole is O=[N+]([O-])c1ncccc1OCc1cnc(Cl)s1.
What is the InChIKey of 2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole?
The InChIKey is NGCPXTWXQAPCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6ClN3O3S/c10-9-12-4-6(17-9)5-16-7-2-1-3-11-8(7)13(14)15/h1-4H,5H2.
What are the key properties of 2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole?
2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole has a molecular weight of 271.69 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-[(2-nitro-3-pyridinyl)oxymethyl]-1,3-thiazole is sourced from PubChem (CID 79764993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).