CID 153424183

C10H10BBrN2O — CID 153424183

IUPAC—
SMILES[B]CC(=O)NC1CCc2cc(Br)cnc21
InChIInChI=1S/C10H10BBrN2O/c11-4-9(15)14-8-2-1-6-3-7(12)5-13-10(6)8/h3,5,8H,1-2,4H2,(H,14,15)
InChIKeyOIHHWBJUEVBYEO-UHFFFAOYSA-N
MW264.92 g/mol
LogP1.53
Rot. Bonds2

About CID 153424183

CID 153424183 (PubChem CID 153424183) has the molecular formula C10H10BBrN2O and a molecular weight of 264.92 g/mol.

Molecular Properties

Compound NameCID 153424183
PubChem CID153424183
Molecular FormulaC10H10BBrN2O
Molecular Weight264.92 g/mol
Exact Mass264.01
IUPAC Name—
SMILES[B]CC(=O)NC1CCc2cc(Br)cnc21
InChIInChI=1S/C10H10BBrN2O/c11-4-9(15)14-8-2-1-6-3-7(12)5-13-10(6)8/h3,5,8H,1-2,4H2,(H,14,15)
InChIKeyOIHHWBJUEVBYEO-UHFFFAOYSA-N
XLogP1.53
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.92
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)ethanone
CID 122632624
3-bromo-7-chloro-6,7-dihydro-5H-cyclopenta[b]pyridine
CID 67843076
tert-butyl N-[(7R,8S)-3-bromo-7-hydroxy-5,6,7,8-tetrahydroquinolin-8-yl]carbamate
CID 177205812
tert-butyl N-[(7S,8R)-3-bromo-7-hydroxy-5,6,7,8-tetrahydroquinolin-8-yl]carbamate
CID 177204831
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)butanamide
CID 170583156
2-[[3-bromo-8-(4-fluorophenyl)sulfonyl-5,6,7,8-tetrahydroquinolin-7-yl]amino]ethanol
CID 134442417
1-[4-(6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)piperidin-1-yl]propan-1-one
CID 59157843
4-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-3-fluoro-5-methylthiophene-2-carboxylic acid
CID 146190505
2-(6-bromo-2-oxo-3,4-dihydro-1,8-naphthyridin-1-yl)acetic acid
CID 68565826
1-[4-[(6-bromo-13,15-dichloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)methyl]piperidin-1-yl]ethanone
CID 91161154
methyl 4-[2-(3-bromo-6,7-dihydro-5H-cyclopenta[b]pyridin-7-yl)-1H-imidazol-5-yl]-3-fluorothiophene-2-carboxylate
CID 122623934
1-[4-[(2R)-6,15-dibromo-13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 10792548

Frequently Asked Questions

What is the IUPAC name of CID 153424183?
The IUPAC name of CID 153424183 (CID 153424183) is not available.
What is the SMILES notation for CID 153424183?
The canonical SMILES for CID 153424183 is [B]CC(=O)NC1CCc2cc(Br)cnc21.
What is the InChIKey of CID 153424183?
The InChIKey is OIHHWBJUEVBYEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BBrN2O/c11-4-9(15)14-8-2-1-6-3-7(12)5-13-10(6)8/h3,5,8H,1-2,4H2,(H,14,15).
What are the key properties of CID 153424183?
CID 153424183 has a molecular weight of 264.92 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 153424183 is sourced from PubChem (CID 153424183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).