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

C16H14FN3 — CID 3510190

IUPAC6-fluoro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESFc1ccc2[nH]c3c(c2c1)CCNC3c1cccnc1
InChIInChI=1S/C16H14FN3/c17-11-3-4-14-13(8-11)12-5-7-19-15(16(12)20-14)10-2-1-6-18-9-10/h1-4,6,8-9,15,19-20H,5,7H2
InChIKeyDNACQHWVNGPXPU-UHFFFAOYSA-N
MW267.31 g/mol
LogP2.94
Rot. Bonds1

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

6-fluoro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (PubChem CID 3510190) has the molecular formula C16H14FN3 and a molecular weight of 267.31 g/mol. Its IUPAC name is 6-fluoro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.

Molecular Properties

Compound Name6-fluoro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
PubChem CID3510190
Molecular FormulaC16H14FN3
Molecular Weight267.31 g/mol
Exact Mass267.12
IUPAC Name6-fluoro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
SMILESFc1ccc2[nH]c3c(c2c1)CCNC3c1cccnc1
InChIInChI=1S/C16H14FN3/c17-11-3-4-14-13(8-11)12-5-7-19-15(16(12)20-14)10-2-1-6-18-9-10/h1-4,6,8-9,15,19-20H,5,7H2
InChIKeyDNACQHWVNGPXPU-UHFFFAOYSA-N
XLogP2.94
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.31
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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 6-fluoro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The IUPAC name of 6-fluoro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole (CID 3510190) is 6-fluoro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole.
What is the SMILES notation for 6-fluoro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The canonical SMILES for 6-fluoro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is Fc1ccc2[nH]c3c(c2c1)CCNC3c1cccnc1.
What is the InChIKey of 6-fluoro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
The InChIKey is DNACQHWVNGPXPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FN3/c17-11-3-4-14-13(8-11)12-5-7-19-15(16(12)20-14)10-2-1-6-18-9-10/h1-4,6,8-9,15,19-20H,5,7H2.
What are the key properties of 6-fluoro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole?
6-fluoro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole has a molecular weight of 267.31 g/mol, XLogP of 2.94, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-1-pyridin-3-yl-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole is sourced from PubChem (CID 3510190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).