(5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone

C15H11BrN2O2 — CID 43340450

IUPAC(5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3cncc(Br)c3)c2c1
InChIInChI=1S/C15H11BrN2O2/c1-20-11-2-3-14-12(5-11)13(8-18-14)15(19)9-4-10(16)7-17-6-9/h2-8,18H,1H3
InChIKeyPPIAMUVTKVXCAG-UHFFFAOYSA-N
MW331.17 g/mol
LogP3.57
Rot. Bonds3

About (5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone

(5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone (PubChem CID 43340450) has the molecular formula C15H11BrN2O2 and a molecular weight of 331.17 g/mol. Its IUPAC name is (5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone.

Molecular Properties

Compound Name(5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone
PubChem CID43340450
Molecular FormulaC15H11BrN2O2
Molecular Weight331.17 g/mol
Exact Mass330.00
IUPAC Name(5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone
SMILESCOc1ccc2[nH]cc(C(=O)c3cncc(Br)c3)c2c1
InChIInChI=1S/C15H11BrN2O2/c1-20-11-2-3-14-12(5-11)13(8-18-14)15(19)9-4-10(16)7-17-6-9/h2-8,18H,1H3
InChIKeyPPIAMUVTKVXCAG-UHFFFAOYSA-N
XLogP3.57
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.17
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-bromo-5-fluorophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43248300
(5-methoxy-1H-indol-3-yl)-(4-methoxyphenyl)methanone
CID 43340483
(5-bromo-3-pyridinyl)-(5-nitro-1H-indol-3-yl)methanone
CID 43340497
(5-bromo-1H-indol-3-yl)-(3-methoxyphenyl)methanone
CID 43162092
(2-bromophenyl)-(5-methoxy-1H-indol-3-yl)methanone
CID 43340488
(3-bromothiophen-2-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 55239533
6-methoxy-3-(pyridine-4-carbonyl)-1H-quinolin-4-one
CID 42585812
4-(5-methoxy-1H-indole-3-carbonyl)benzonitrile
CID 53417893
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetaldehyde
CID 50901388
(5-iodothiophen-3-yl)-(5-methoxy-1H-indol-3-yl)methanone
CID 79685949
N,N-diethyl-5-methoxy-1H-indole-3-carboxamide
CID 91755801
2-(5-methoxy-1H-indol-3-yl)-2-oxoacetamide
CID 44719462

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone?
The IUPAC name of (5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone (CID 43340450) is (5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone.
What is the SMILES notation for (5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone?
The canonical SMILES for (5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone is COc1ccc2[nH]cc(C(=O)c3cncc(Br)c3)c2c1.
What is the InChIKey of (5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone?
The InChIKey is PPIAMUVTKVXCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN2O2/c1-20-11-2-3-14-12(5-11)13(8-18-14)15(19)9-4-10(16)7-17-6-9/h2-8,18H,1H3.
What are the key properties of (5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone?
(5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone has a molecular weight of 331.17 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-pyridinyl)-(5-methoxy-1H-indol-3-yl)methanone is sourced from PubChem (CID 43340450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).