(6-bromo-3-carbamoylchromen-2-ylidene)azanium

C10H8BrN2O2+ — CID 40541342

IUPAC(6-bromo-3-carbamoylchromen-2-ylidene)azanium
SMILESNC(=O)c1cc2cc(Br)ccc2oc1=[NH2+]
InChIInChI=1S/C10H7BrN2O2/c11-6-1-2-8-5(3-6)4-7(9(12)14)10(13)15-8/h1-4,13H,(H2,12,14)/p+1
InChIKeyHIPFWGLXPRHXQI-UHFFFAOYSA-O
MW268.09 g/mol
LogP-0.05
Rot. Bonds1

About (6-bromo-3-carbamoylchromen-2-ylidene)azanium

(6-bromo-3-carbamoylchromen-2-ylidene)azanium (PubChem CID 40541342) has the molecular formula C10H8BrN2O2+ and a molecular weight of 268.09 g/mol. Its IUPAC name is (6-bromo-3-carbamoylchromen-2-ylidene)azanium.

Molecular Properties

Compound Name(6-bromo-3-carbamoylchromen-2-ylidene)azanium
PubChem CID40541342
Molecular FormulaC10H8BrN2O2+
Molecular Weight268.09 g/mol
Exact Mass266.98
IUPAC Name(6-bromo-3-carbamoylchromen-2-ylidene)azanium
SMILESNC(=O)c1cc2cc(Br)ccc2oc1=[NH2+]
InChIInChI=1S/C10H7BrN2O2/c11-6-1-2-8-5(3-6)4-7(9(12)14)10(13)15-8/h1-4,13H,(H2,12,14)/p+1
InChIKeyHIPFWGLXPRHXQI-UHFFFAOYSA-O
XLogP-0.05
TPSA81.82 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.09
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 747316
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SODIUM, 5-BROMO-BENZOFURAN-2-CARBOXYLATE
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2-(4-acetylphenyl)imino-6-bromochromene-3-carboxamide
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6-bromo-2-(3-methylphenyl)iminochromene-3-carboxamide
CID 4012007
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ethyl 6-bromo-2-oxochromene-3-carboxylate
CID 691747
6-bromo-3-methylnaphthalene-2-carboxamide
CID 20595138
1-(5-bromo-1-benzofuran-2-yl)-2,2,2-trifluoroethanone
CID 71301977
2-(4-bromophenyl)imino-6-chlorochromene-3-carboxamide
CID 1212130
2-(5-bromo-1-benzofuran-2-yl)-2-(dimethylamino)propanoic acid
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1-(5-bromo-1-benzofuran-2-yl)-3-(dimethylamino)propan-1-one
CID 170859266

Frequently Asked Questions

What is the IUPAC name of (6-bromo-3-carbamoylchromen-2-ylidene)azanium?
The IUPAC name of (6-bromo-3-carbamoylchromen-2-ylidene)azanium (CID 40541342) is (6-bromo-3-carbamoylchromen-2-ylidene)azanium.
What is the SMILES notation for (6-bromo-3-carbamoylchromen-2-ylidene)azanium?
The canonical SMILES for (6-bromo-3-carbamoylchromen-2-ylidene)azanium is NC(=O)c1cc2cc(Br)ccc2oc1=[NH2+].
What is the InChIKey of (6-bromo-3-carbamoylchromen-2-ylidene)azanium?
The InChIKey is HIPFWGLXPRHXQI-UHFFFAOYSA-O. The full InChI is InChI=1S/C10H7BrN2O2/c11-6-1-2-8-5(3-6)4-7(9(12)14)10(13)15-8/h1-4,13H,(H2,12,14)/p+1.
What are the key properties of (6-bromo-3-carbamoylchromen-2-ylidene)azanium?
(6-bromo-3-carbamoylchromen-2-ylidene)azanium has a molecular weight of 268.09 g/mol, XLogP of -0.05, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-3-carbamoylchromen-2-ylidene)azanium is sourced from PubChem (CID 40541342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).