methyl 5-bromopyridine-3-carboximidate

C7H7BrN2O — CID 15211508

IUPACmethyl 5-bromopyridine-3-carboximidate
SMILES[H]/N=C(\OC)c1cncc(Br)c1
InChIInChI=1S/C7H7BrN2O/c1-11-7(9)5-2-6(8)4-10-3-5/h2-4,9H,1H3/b9-7-
InChIKeyYUARPTLCWBOOKD-CLFYSBASSA-N
MW215.05 g/mol
LogP1.82
Rot. Bonds1

About methyl 5-bromopyridine-3-carboximidate

methyl 5-bromopyridine-3-carboximidate (PubChem CID 15211508) has the molecular formula C7H7BrN2O and a molecular weight of 215.05 g/mol. Its IUPAC name is methyl 5-bromopyridine-3-carboximidate.

Molecular Properties

Compound Namemethyl 5-bromopyridine-3-carboximidate
PubChem CID15211508
Molecular FormulaC7H7BrN2O
Molecular Weight215.05 g/mol
Exact Mass213.97
IUPAC Namemethyl 5-bromopyridine-3-carboximidate
SMILES[H]/N=C(\OC)c1cncc(Br)c1
InChIInChI=1S/C7H7BrN2O/c1-11-7(9)5-2-6(8)4-10-3-5/h2-4,9H,1H3/b9-7-
InChIKeyYUARPTLCWBOOKD-CLFYSBASSA-N
XLogP1.82
TPSA45.97 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

ethyl 5-bromopyridine-3-carboximidate
CID 79018458
5-bromo-N-methoxypyridine-3-carboxamide
CID 51279281
1-(5-bromo-3-pyridinyl)ethanone
CID 820423
3-bromo-5-prop-1-en-2-ylpyridine
CID 86707020
methyl 3-(5-bromo-3-pyridinyl)-3-hydroxyprop-2-enoate
CID 170919729
bis(5-bromo-3-pyridinyl)methanone
CID 150630113
ethyl 3-(5-bromo-3-pyridinyl)-3-oxopropanoate
CID 2763056
1-(5-bromo-3-pyridinyl)-2-methylpropan-1-one
CID 20782622
methyl 4-ethylbenzenecarboximidate
CID 60984990
potassium [3-(5-bromopyridine-3-carbonyl)oxypropylamino]-trimethylazanium
CID 71496237
5-bromo-N-(3,4,5-trimethoxyphenyl)pyridine-3-carboxamide
CID 1267701
methyl 4-methylbenzenecarboximidate;hydrochloride
CID 13090219

Frequently Asked Questions

What is the IUPAC name of methyl 5-bromopyridine-3-carboximidate?
The IUPAC name of methyl 5-bromopyridine-3-carboximidate (CID 15211508) is methyl 5-bromopyridine-3-carboximidate.
What is the SMILES notation for methyl 5-bromopyridine-3-carboximidate?
The canonical SMILES for methyl 5-bromopyridine-3-carboximidate is [H]/N=C(\OC)c1cncc(Br)c1.
What is the InChIKey of methyl 5-bromopyridine-3-carboximidate?
The InChIKey is YUARPTLCWBOOKD-CLFYSBASSA-N. The full InChI is InChI=1S/C7H7BrN2O/c1-11-7(9)5-2-6(8)4-10-3-5/h2-4,9H,1H3/b9-7-.
What are the key properties of methyl 5-bromopyridine-3-carboximidate?
methyl 5-bromopyridine-3-carboximidate has a molecular weight of 215.05 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-bromopyridine-3-carboximidate is sourced from PubChem (CID 15211508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).