(4-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane

C6H7BrN2OS — CID 174344369

IUPAC(4-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)c1cc(Br)ccn1
InChIInChI=1S/C6H7BrN2OS/c1-11(8,10)6-4-5(7)2-3-9-6/h2-4,8H,1H3/t11-/m0/s1
InChIKeyCKWMMLXBGOBOLS-NSHDSACASA-N
MW235.11 g/mol
LogP1.88
Rot. Bonds1

About (4-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane

(4-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane (PubChem CID 174344369) has the molecular formula C6H7BrN2OS and a molecular weight of 235.11 g/mol. Its IUPAC name is (4-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane.

Molecular Properties

Compound Name(4-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane
PubChem CID174344369
Molecular FormulaC6H7BrN2OS
Molecular Weight235.11 g/mol
Exact Mass233.95
IUPAC Name(4-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane
SMILES[H]N=[S@@](C)(=O)c1cc(Br)ccn1
InChIInChI=1S/C6H7BrN2OS/c1-11(8,10)6-4-5(7)2-3-9-6/h2-4,8H,1H3/t11-/m0/s1
InChIKeyCKWMMLXBGOBOLS-NSHDSACASA-N
XLogP1.88
TPSA53.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.11
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-2-pyridinyl)methyl methanesulfonate
CID 130121695
4-bromo-3-[(4-bromo-2-pyridinyl)sulfonylamino]pyridine-2-sulfonyl chloride
CID 167313550
4-bromo-2-(2-methylsulfonylpropyl)pyridine
CID 70819111
N-[(4-bromo-2-pyridinyl)sulfonyl]-2-propan-2-yloxyacetamide
CID 138005980
2,4-dibromopyridine
CID 817104
2,4-dibromopyridine;hydrochloride
CID 87218885
2-(4-bromo-2-methoxyphenoxy)-5-chloro-N-[2-(methylsulfonimidoyl)-4-pyridinyl]-4-(trifluoromethyl)benzamide
CID 171071907
2-(4-bromo-2-pyridinyl)acetaldehyde
CID 53403630
2-methylsulfonylpyridine-4-carbothioamide
CID 47003466
(1R)-1-(4-bromo-2-pyridinyl)-2-methylpropan-1-amine
CID 124704586
4-bromo-N-(2-methylpropylsulfamoyl)pyridin-2-amine
CID 102820721
methyl-methylimino-(4-methyl-2-pyridinyl)-oxo-λ6-sulfane
CID 178057266

Frequently Asked Questions

What is the IUPAC name of (4-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane?
The IUPAC name of (4-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane (CID 174344369) is (4-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane.
What is the SMILES notation for (4-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane?
The canonical SMILES for (4-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane is [H]N=[S@@](C)(=O)c1cc(Br)ccn1.
What is the InChIKey of (4-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane?
The InChIKey is CKWMMLXBGOBOLS-NSHDSACASA-N. The full InChI is InChI=1S/C6H7BrN2OS/c1-11(8,10)6-4-5(7)2-3-9-6/h2-4,8H,1H3/t11-/m0/s1.
What are the key properties of (4-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane?
(4-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane has a molecular weight of 235.11 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-2-pyridinyl)-imino-methyl-oxo-λ6-sulfane is sourced from PubChem (CID 174344369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).