nitroso 5-bromo-2-methoxypyridine-4-carboxylate

C7H5BrN2O4 — CID 175292393

IUPACnitroso 5-bromo-2-methoxypyridine-4-carboxylate
SMILESCOc1cc(C(=O)ON=O)c(Br)cn1
InChIInChI=1S/C7H5BrN2O4/c1-13-6-2-4(5(8)3-9-6)7(11)14-10-12/h2-3H,1H3
InChIKeyQBHHOAFGVQKYSV-UHFFFAOYSA-N
MW261.03 g/mol
LogP1.69
Rot. Bonds3

About nitroso 5-bromo-2-methoxypyridine-4-carboxylate

nitroso 5-bromo-2-methoxypyridine-4-carboxylate (PubChem CID 175292393) has the molecular formula C7H5BrN2O4 and a molecular weight of 261.03 g/mol. Its IUPAC name is nitroso 5-bromo-2-methoxypyridine-4-carboxylate.

Molecular Properties

Compound Namenitroso 5-bromo-2-methoxypyridine-4-carboxylate
PubChem CID175292393
Molecular FormulaC7H5BrN2O4
Molecular Weight261.03 g/mol
Exact Mass259.94
IUPAC Namenitroso 5-bromo-2-methoxypyridine-4-carboxylate
SMILESCOc1cc(C(=O)ON=O)c(Br)cn1
InChIInChI=1S/C7H5BrN2O4/c1-13-6-2-4(5(8)3-9-6)7(11)14-10-12/h2-3H,1H3
InChIKeyQBHHOAFGVQKYSV-UHFFFAOYSA-N
XLogP1.69
TPSA77.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.03
LogP ≤ 51.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

bis(5-bromo-2-methoxy-4-pyridinyl)methanone
CID 145284641
2-amino-1-(5-bromo-2-methoxy-4-pyridinyl)ethanone
CID 84704798
methyl 5-bromo-2-propan-2-yloxypyridine-4-carboxylate
CID 86723769
methyl 5-bromo-2-(difluoromethoxy)pyridine-4-carboxylate
CID 138609183
methyl 5-bromo-2-cyclopropyloxypyridine-4-carboxylate
CID 154595238
nitroso 2-bromo-5-fluoropyridine-4-carboxylate
CID 175054783
ethane;methyl 2-methoxy-5-methylpyridine-4-carboxylate
CID 143512804
methyl 5-bromo-2-iodopyridine-4-carboxylate
CID 91667368
methyl 5-bromo-2-chloropyridine-4-carboxylate
CID 26966728
5-bromo-2-methoxy-4-methylpyridine;ethane
CID 145360163
3-bromo-6-methoxy-4-nitroso-1,7-naphthyridine
CID 138463649
ethyl 5-bromo-2-(trifluoromethoxy)pyridine-4-carboxylate
CID 171029018

Frequently Asked Questions

What is the IUPAC name of nitroso 5-bromo-2-methoxypyridine-4-carboxylate?
The IUPAC name of nitroso 5-bromo-2-methoxypyridine-4-carboxylate (CID 175292393) is nitroso 5-bromo-2-methoxypyridine-4-carboxylate.
What is the SMILES notation for nitroso 5-bromo-2-methoxypyridine-4-carboxylate?
The canonical SMILES for nitroso 5-bromo-2-methoxypyridine-4-carboxylate is COc1cc(C(=O)ON=O)c(Br)cn1.
What is the InChIKey of nitroso 5-bromo-2-methoxypyridine-4-carboxylate?
The InChIKey is QBHHOAFGVQKYSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5BrN2O4/c1-13-6-2-4(5(8)3-9-6)7(11)14-10-12/h2-3H,1H3.
What are the key properties of nitroso 5-bromo-2-methoxypyridine-4-carboxylate?
nitroso 5-bromo-2-methoxypyridine-4-carboxylate has a molecular weight of 261.03 g/mol, XLogP of 1.69, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for nitroso 5-bromo-2-methoxypyridine-4-carboxylate is sourced from PubChem (CID 175292393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).