4-fluoro-2-methyl-1H-indole-7-carbaldehyde

C10H8FNO — CID 143126641

IUPAC4-fluoro-2-methyl-1H-indole-7-carbaldehyde
SMILESCc1cc2c(F)ccc(C=O)c2[nH]1
InChIInChI=1S/C10H8FNO/c1-6-4-8-9(11)3-2-7(5-13)10(8)12-6/h2-5,12H,1H3
InChIKeyDXXJBWZWWWZQCS-UHFFFAOYSA-N
MW177.18 g/mol
LogP2.43
Rot. Bonds1

About 4-fluoro-2-methyl-1H-indole-7-carbaldehyde

4-fluoro-2-methyl-1H-indole-7-carbaldehyde (PubChem CID 143126641) has the molecular formula C10H8FNO and a molecular weight of 177.18 g/mol. Its IUPAC name is 4-fluoro-2-methyl-1H-indole-7-carbaldehyde.

Molecular Properties

Compound Name4-fluoro-2-methyl-1H-indole-7-carbaldehyde
PubChem CID143126641
Molecular FormulaC10H8FNO
Molecular Weight177.18 g/mol
Exact Mass177.06
IUPAC Name4-fluoro-2-methyl-1H-indole-7-carbaldehyde
SMILESCc1cc2c(F)ccc(C=O)c2[nH]1
InChIInChI=1S/C10H8FNO/c1-6-4-8-9(11)3-2-7(5-13)10(8)12-6/h2-5,12H,1H3
InChIKeyDXXJBWZWWWZQCS-UHFFFAOYSA-N
XLogP2.43
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.18
LogP ≤ 52.43
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

7-fluoro-2-methyl-1H-indole-4-carbonitrile
CID 130048520
7-bromo-4-fluoro-1H-indole;4-fluoro-1H-indole-7-carbaldehyde
CID 161166264
ethane;2-fluoro-5-methylbenzaldehyde
CID 144639073
6-fluoro-3,5-dimethyl-2H-isoquinolin-1-one
CID 114517589
5-(3,4-dimethylphenyl)-2-fluorobenzaldehyde
CID 22566637
4-fluoro-3-methyl-2-nitrobenzaldehyde
CID 118821863
ethane;4-fluoro-2-methyl-1H-indole
CID 171088115
4-fluoro-2-methylbenzaldehyde
CID 2783217
4,5,6,7-tetrafluoro-1H-indole;4,5,6,7-tetrafluoro-2-methyl-1H-indole
CID 158329465
4-fluoro-2-methyl-3-nitrosobenzaldehyde
CID 175381308
3-acetyl-4-fluoro-1H-indole-7-carbaldehyde
CID 143126561
3-bromo-2,4-difluorobenzaldehyde
CID 74891957

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-methyl-1H-indole-7-carbaldehyde?
The IUPAC name of 4-fluoro-2-methyl-1H-indole-7-carbaldehyde (CID 143126641) is 4-fluoro-2-methyl-1H-indole-7-carbaldehyde.
What is the SMILES notation for 4-fluoro-2-methyl-1H-indole-7-carbaldehyde?
The canonical SMILES for 4-fluoro-2-methyl-1H-indole-7-carbaldehyde is Cc1cc2c(F)ccc(C=O)c2[nH]1.
What is the InChIKey of 4-fluoro-2-methyl-1H-indole-7-carbaldehyde?
The InChIKey is DXXJBWZWWWZQCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO/c1-6-4-8-9(11)3-2-7(5-13)10(8)12-6/h2-5,12H,1H3.
What are the key properties of 4-fluoro-2-methyl-1H-indole-7-carbaldehyde?
4-fluoro-2-methyl-1H-indole-7-carbaldehyde has a molecular weight of 177.18 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-methyl-1H-indole-7-carbaldehyde is sourced from PubChem (CID 143126641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).