CID 11534015

C15H10Br2N3O2 — CID 11534015

IUPAC—
SMILESO=C([C]1[CH][CH][CH][CH]1)C(Oc1ccc(Br)cc1Br)n1cncn1
InChIInChI=1S/C15H10Br2N3O2/c16-11-5-6-13(12(17)7-11)22-15(20-9-18-8-19-20)14(21)10-3-1-2-4-10/h1-9,15H
InChIKeyXGBLUVOGMJHYDS-UHFFFAOYSA-N
MW424.07 g/mol
LogP3.36
Rot. Bonds5

About CID 11534015

CID 11534015 (PubChem CID 11534015) has the molecular formula C15H10Br2N3O2 and a molecular weight of 424.07 g/mol.

Molecular Properties

Compound NameCID 11534015
PubChem CID11534015
Molecular FormulaC15H10Br2N3O2
Molecular Weight424.07 g/mol
Exact Mass421.91
IUPAC Name—
SMILESO=C([C]1[CH][CH][CH][CH]1)C(Oc1ccc(Br)cc1Br)n1cncn1
InChIInChI=1S/C15H10Br2N3O2/c16-11-5-6-13(12(17)7-11)22-15(20-9-18-8-19-20)14(21)10-3-1-2-4-10/h1-9,15H
InChIKeyXGBLUVOGMJHYDS-UHFFFAOYSA-N
XLogP3.36
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.07
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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bis(2,4-dibromophenyl) carbonate
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(2,4-dibromophenyl) 2-hydroxyacetate
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N-[(4-bromophenyl)methyl]-2-(1,2,4-triazol-1-yl)propanamide
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ethyl 2-(2,4-dibromophenoxy)butanoate
CID 60730897
4-(2,4-dibromophenoxy)pentanoic acid
CID 62214514
4-chloro-2-(2,4-dibromophenoxy)butanoate
CID 57361990
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CID 165349274
N-[(2-bromo-5-fluorophenyl)methyl]-N-methyl-2-(1,2,4-triazol-1-yl)propanamide
CID 122146678
N-(5-bromo-2-methoxyphenyl)-3-(1,2,4-triazol-1-yl)propanamide
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CID 124680092

Frequently Asked Questions

What is the IUPAC name of CID 11534015?
The IUPAC name of CID 11534015 (CID 11534015) is not available.
What is the SMILES notation for CID 11534015?
The canonical SMILES for CID 11534015 is O=C([C]1[CH][CH][CH][CH]1)C(Oc1ccc(Br)cc1Br)n1cncn1.
What is the InChIKey of CID 11534015?
The InChIKey is XGBLUVOGMJHYDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2N3O2/c16-11-5-6-13(12(17)7-11)22-15(20-9-18-8-19-20)14(21)10-3-1-2-4-10/h1-9,15H.
What are the key properties of CID 11534015?
CID 11534015 has a molecular weight of 424.07 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for CID 11534015 is sourced from PubChem (CID 11534015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).