5-bromo-6-fluoro-2-methyl-1H-indole-3-carbaldehyde

C10H7BrFNO — CID 83901191

IUPAC5-bromo-6-fluoro-2-methyl-1H-indole-3-carbaldehyde
SMILESCc1[nH]c2cc(F)c(Br)cc2c1C=O
InChIInChI=1S/C10H7BrFNO/c1-5-7(4-14)6-2-8(11)9(12)3-10(6)13-5/h2-4,13H,1H3
InChIKeyPXRLHVLBYLZWQQ-UHFFFAOYSA-N
MW256.07 g/mol
LogP3.19
Rot. Bonds1

About 5-bromo-6-fluoro-2-methyl-1H-indole-3-carbaldehyde

5-bromo-6-fluoro-2-methyl-1H-indole-3-carbaldehyde (PubChem CID 83901191) has the molecular formula C10H7BrFNO and a molecular weight of 256.07 g/mol. Its IUPAC name is 5-bromo-6-fluoro-2-methyl-1H-indole-3-carbaldehyde.

Molecular Properties

Compound Name5-bromo-6-fluoro-2-methyl-1H-indole-3-carbaldehyde
PubChem CID83901191
Molecular FormulaC10H7BrFNO
Molecular Weight256.07 g/mol
Exact Mass254.97
IUPAC Name5-bromo-6-fluoro-2-methyl-1H-indole-3-carbaldehyde
SMILESCc1[nH]c2cc(F)c(Br)cc2c1C=O
InChIInChI=1S/C10H7BrFNO/c1-5-7(4-14)6-2-8(11)9(12)3-10(6)13-5/h2-4,13H,1H3
InChIKeyPXRLHVLBYLZWQQ-UHFFFAOYSA-N
XLogP3.19
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.07
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

6-iodo-2-methyl-1H-indole-3-carbaldehyde
CID 88938719
6-bromo-3-chloro-5-fluoro-2-methyl-1H-quinolin-4-one;6-bromo-3-chloro-7-fluoro-2-methyl-1H-quinolin-4-one
CID 158216445
5-bromo-6-fluoro-3-methyl-1H-indole
CID 118084336
1-bromo-2,5-difluoro-4-methylbenzene;2,5-difluoro-4-methylbenzaldehyde
CID 160964271
6-bromo-7-fluoro-2-sulfanylidene-1H-quinazolin-4-one
CID 114589044
N-(3-formyl-2-methyl-1H-indol-5-yl)acetamide
CID 118108334
5-bromo-3-ethyl-6-fluoro-1H-indole
CID 145066823
5,6-difluoro-2-methyl-1H-indole-3-carboxylic acid
CID 105464701
6-fluoro-2-methyl-1H-pyrrolo[3,2-b]pyridine-3-carbaldehyde;dihydrochloride
CID 174802442
4-iodo-2-methyl-1H-indole-3-carbaldehyde
CID 12541890
6-bromo-7-fluoro-2-methyl-3H-quinazolin-4-one
CID 136675677
2-amino-5-bromo-6-fluoro-1H-indole-3-carbonitrile
CID 156877023

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-2-methyl-1H-indole-3-carbaldehyde?
The IUPAC name of 5-bromo-6-fluoro-2-methyl-1H-indole-3-carbaldehyde (CID 83901191) is 5-bromo-6-fluoro-2-methyl-1H-indole-3-carbaldehyde.
What is the SMILES notation for 5-bromo-6-fluoro-2-methyl-1H-indole-3-carbaldehyde?
The canonical SMILES for 5-bromo-6-fluoro-2-methyl-1H-indole-3-carbaldehyde is Cc1[nH]c2cc(F)c(Br)cc2c1C=O.
What is the InChIKey of 5-bromo-6-fluoro-2-methyl-1H-indole-3-carbaldehyde?
The InChIKey is PXRLHVLBYLZWQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrFNO/c1-5-7(4-14)6-2-8(11)9(12)3-10(6)13-5/h2-4,13H,1H3.
What are the key properties of 5-bromo-6-fluoro-2-methyl-1H-indole-3-carbaldehyde?
5-bromo-6-fluoro-2-methyl-1H-indole-3-carbaldehyde has a molecular weight of 256.07 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-2-methyl-1H-indole-3-carbaldehyde is sourced from PubChem (CID 83901191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).