1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine

C12H13FN2 — CID 105456213

IUPAC1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine
SMILESNC1CCCn2c1cc1c(F)cccc12
InChIInChI=1S/C12H13FN2/c13-9-3-1-5-11-8(9)7-12-10(14)4-2-6-15(11)12/h1,3,5,7,10H,2,4,6,14H2
InChIKeyOXNASHLOHPDOPJ-UHFFFAOYSA-N
MW204.25 g/mol
LogP2.57
Rot. Bonds

About 1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine

1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine (PubChem CID 105456213) has the molecular formula C12H13FN2 and a molecular weight of 204.25 g/mol. Its IUPAC name is 1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine.

Molecular Properties

Compound Name1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine
PubChem CID105456213
Molecular FormulaC12H13FN2
Molecular Weight204.25 g/mol
Exact Mass204.11
IUPAC Name1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine
SMILESNC1CCCn2c1cc1c(F)cccc12
InChIInChI=1S/C12H13FN2/c13-9-3-1-5-11-8(9)7-12-10(14)4-2-6-15(11)12/h1,3,5,7,10H,2,4,6,14H2
InChIKeyOXNASHLOHPDOPJ-UHFFFAOYSA-N
XLogP2.57
TPSA30.95 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.25
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6,7,8,9-tetrahydropyrido[1,2-a]indole-1,9-diol
CID 115022934
9-amino-6,7,8,9-tetrahydropyrido[1,2-a]indol-3-ol
CID 105454412
(1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-yl)methanamine
CID 105472592
(5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indol-2-yl)methanamine
CID 105456230
5-fluoro-2,3-dihydro-1H-pyrrolo[1,2-a]indole-2-carboxylic acid
CID 105473568
5-bromo-2,3-dihydro-1H-pyrrolo[1,2-a]indol-3-ol
CID 115046881
9-fluoro-3,4-dihydro-2H-pyrazino[1,2-a]indol-1-one
CID 18520478
5-hydroxy-2,3-dihydro-1H-pyrrolo[1,2-a]indole-3-carboxylic acid
CID 105470701
1-(cyclobutylmethyl)-4-fluoroindole-2-carbaldehyde
CID 105489323
3-(2-methylphenyl)-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-8-amine
CID 117153092
1-(2,6-difluorophenyl)piperidin-4-amine
CID 28974632
(3S)-3-amino-6-fluoro-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 129390859

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine?
The IUPAC name of 1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine (CID 105456213) is 1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine.
What is the SMILES notation for 1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine?
The canonical SMILES for 1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine is NC1CCCn2c1cc1c(F)cccc12.
What is the InChIKey of 1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine?
The InChIKey is OXNASHLOHPDOPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2/c13-9-3-1-5-11-8(9)7-12-10(14)4-2-6-15(11)12/h1,3,5,7,10H,2,4,6,14H2.
What are the key properties of 1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine?
1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine has a molecular weight of 204.25 g/mol, XLogP of 2.57, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine is sourced from PubChem (CID 105456213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).