7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

C11H10ClFN2 — CID 23149976

IUPAC7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESFc1cc2c3c([nH]c2cc1Cl)CNCC3
InChIInChI=1S/C11H10ClFN2/c12-8-4-10-7(3-9(8)13)6-1-2-14-5-11(6)15-10/h3-4,14-15H,1-2,5H2
InChIKeyYKNSKUHMFQRKNI-UHFFFAOYSA-N
MW224.67 g/mol
LogP2.61
Rot. Bonds

About 7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole

7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 23149976) has the molecular formula C11H10ClFN2 and a molecular weight of 224.67 g/mol. Its IUPAC name is 7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
PubChem CID23149976
Molecular FormulaC11H10ClFN2
Molecular Weight224.67 g/mol
Exact Mass224.05
IUPAC Name7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESFc1cc2c3c([nH]c2cc1Cl)CNCC3
InChIInChI=1S/C11H10ClFN2/c12-8-4-10-7(3-9(8)13)6-1-2-14-5-11(6)15-10/h3-4,14-15H,1-2,5H2
InChIKeyYKNSKUHMFQRKNI-UHFFFAOYSA-N
XLogP2.61
TPSA27.82 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.67
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 23149976) is 7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is Fc1cc2c3c([nH]c2cc1Cl)CNCC3.
What is the InChIKey of 7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The InChIKey is YKNSKUHMFQRKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClFN2/c12-8-4-10-7(3-9(8)13)6-1-2-14-5-11(6)15-10/h3-4,14-15H,1-2,5H2.
What are the key properties of 7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 224.67 g/mol, XLogP of 2.61, 0 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-6-fluoro-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 23149976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).