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

C12H13ClN2 — CID 105476885

IUPAC1-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine
SMILESNC1CCn2c(cc3c(Cl)cccc32)C1
InChIInChI=1S/C12H13ClN2/c13-11-2-1-3-12-10(11)7-9-6-8(14)4-5-15(9)12/h1-3,7-8H,4-6,14H2
InChIKeyLRDKCSXNGHHAMG-UHFFFAOYSA-N
MW220.70 g/mol
LogP2.57
Rot. Bonds

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

1-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine (PubChem CID 105476885) has the molecular formula C12H13ClN2 and a molecular weight of 220.70 g/mol. Its IUPAC name is 1-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine.

Molecular Properties

Compound Name1-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine
PubChem CID105476885
Molecular FormulaC12H13ClN2
Molecular Weight220.70 g/mol
Exact Mass220.08
IUPAC Name1-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine
SMILESNC1CCn2c(cc3c(Cl)cccc32)C1
InChIInChI=1S/C12H13ClN2/c13-11-2-1-3-12-10(11)7-9-6-8(14)4-5-15(9)12/h1-3,7-8H,4-6,14H2
InChIKeyLRDKCSXNGHHAMG-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 ≤ 500220.70
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine?
The IUPAC name of 1-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine (CID 105476885) is 1-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine.
What is the SMILES notation for 1-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine?
The canonical SMILES for 1-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine is NC1CCn2c(cc3c(Cl)cccc32)C1.
What is the InChIKey of 1-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine?
The InChIKey is LRDKCSXNGHHAMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2/c13-11-2-1-3-12-10(11)7-9-6-8(14)4-5-15(9)12/h1-3,7-8H,4-6,14H2.
What are the key properties of 1-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine?
1-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine has a molecular weight of 220.70 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-chloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-8-amine is sourced from PubChem (CID 105476885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).