4-(6-chloroindol-1-yl)-3-fluoroaniline

C14H10ClFN2 — CID 166522428

IUPAC4-(6-chloroindol-1-yl)-3-fluoroaniline
SMILESNc1ccc(-n2ccc3ccc(Cl)cc32)c(F)c1
InChIInChI=1S/C14H10ClFN2/c15-10-2-1-9-5-6-18(14(9)7-10)13-4-3-11(17)8-12(13)16/h1-8H,17H2
InChIKeyGCXOXJQTRCXELE-UHFFFAOYSA-N
MW260.70 g/mol
LogP4.01
Rot. Bonds1

About 4-(6-chloroindol-1-yl)-3-fluoroaniline

4-(6-chloroindol-1-yl)-3-fluoroaniline (PubChem CID 166522428) has the molecular formula C14H10ClFN2 and a molecular weight of 260.70 g/mol. Its IUPAC name is 4-(6-chloroindol-1-yl)-3-fluoroaniline.

Molecular Properties

Compound Name4-(6-chloroindol-1-yl)-3-fluoroaniline
PubChem CID166522428
Molecular FormulaC14H10ClFN2
Molecular Weight260.70 g/mol
Exact Mass260.05
IUPAC Name4-(6-chloroindol-1-yl)-3-fluoroaniline
SMILESNc1ccc(-n2ccc3ccc(Cl)cc32)c(F)c1
InChIInChI=1S/C14H10ClFN2/c15-10-2-1-9-5-6-18(14(9)7-10)13-4-3-11(17)8-12(13)16/h1-8H,17H2
InChIKeyGCXOXJQTRCXELE-UHFFFAOYSA-N
XLogP4.01
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.70
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-chloro-1-(2-chlorophenyl)indole
CID 22049239
1-(4-chloro-2-fluorophenyl)-2-methylbenzimidazol-5-amine
CID 55080364
7-chloronaphthalen-2-amine
CID 23423659
1-(4-methylsulfanylphenyl)indol-6-amine
CID 142513871
1-(2-chloro-4-fluorophenyl)indole
CID 139914970
4-chloro-3-fluoroaniline
CID 2736511
4-(2-ethylimidazol-1-yl)-3-fluoroaniline
CID 19627195
6-chloro-1-[(4-chloro-2-fluorophenyl)methyl]indole
CID 114859541
1-[(3-bromo-4-fluorophenyl)methyl]-6-chloroindole
CID 116620438
1-(4-chlorophenyl)indole-6-carbaldehyde
CID 122476059
6-chloro-1-[(3,4-difluorophenyl)methyl]indole
CID 116620611
4-(6-chloro-1-propan-2-ylbenzimidazol-2-yl)-3-fluoroaniline
CID 107793667

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloroindol-1-yl)-3-fluoroaniline?
The IUPAC name of 4-(6-chloroindol-1-yl)-3-fluoroaniline (CID 166522428) is 4-(6-chloroindol-1-yl)-3-fluoroaniline.
What is the SMILES notation for 4-(6-chloroindol-1-yl)-3-fluoroaniline?
The canonical SMILES for 4-(6-chloroindol-1-yl)-3-fluoroaniline is Nc1ccc(-n2ccc3ccc(Cl)cc32)c(F)c1.
What is the InChIKey of 4-(6-chloroindol-1-yl)-3-fluoroaniline?
The InChIKey is GCXOXJQTRCXELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2/c15-10-2-1-9-5-6-18(14(9)7-10)13-4-3-11(17)8-12(13)16/h1-8H,17H2.
What are the key properties of 4-(6-chloroindol-1-yl)-3-fluoroaniline?
4-(6-chloroindol-1-yl)-3-fluoroaniline has a molecular weight of 260.70 g/mol, XLogP of 4.01, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloroindol-1-yl)-3-fluoroaniline is sourced from PubChem (CID 166522428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).