6-pyridin-3-ylisoquinolin-5-amine

C14H11N3 — CID 82583202

IUPAC6-pyridin-3-ylisoquinolin-5-amine
SMILESNc1c(-c2cccnc2)ccc2cnccc12
InChIInChI=1S/C14H11N3/c15-14-12(10-2-1-6-16-8-10)4-3-11-9-17-7-5-13(11)14/h1-9H,15H2
InChIKeyFRXJTBBAVKWWTE-UHFFFAOYSA-N
MW221.26 g/mol
LogP2.88
Rot. Bonds1

About 6-pyridin-3-ylisoquinolin-5-amine

6-pyridin-3-ylisoquinolin-5-amine (PubChem CID 82583202) has the molecular formula C14H11N3 and a molecular weight of 221.26 g/mol. Its IUPAC name is 6-pyridin-3-ylisoquinolin-5-amine.

Molecular Properties

Compound Name6-pyridin-3-ylisoquinolin-5-amine
PubChem CID82583202
Molecular FormulaC14H11N3
Molecular Weight221.26 g/mol
Exact Mass221.10
IUPAC Name6-pyridin-3-ylisoquinolin-5-amine
SMILESNc1c(-c2cccnc2)ccc2cnccc12
InChIInChI=1S/C14H11N3/c15-14-12(10-2-1-6-16-8-10)4-3-11-9-17-7-5-13(11)14/h1-9H,15H2
InChIKeyFRXJTBBAVKWWTE-UHFFFAOYSA-N
XLogP2.88
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6-(1,3-thiazol-5-yl)isoquinolin-5-amine
CID 168925511
3,8-phenanthroline
CID 13064691
2-pyridin-3-ylnaphthalene-1-sulfonamide
CID 174641658
3-pyren-1-ylpyridine
CID 58924967
3-(5-pyridin-3-ylnaphthalen-1-yl)pyridine
CID 169050404
4-fluoro-2,6-dipyridin-3-ylaniline
CID 46316799
5-pyridin-3-ylpyrimidine-2,4-diamine
CID 118493821
5-(3-methyl-5-pyridin-3-ylphenyl)isoquinoline
CID 144553782
2-pyridin-3-ylnaphthalene-1-carbonitrile
CID 71514388
benzo[f]isoquinolin-8-amine
CID 101109295
5-pyrimidin-5-ylisoquinoline
CID 141337488
2,4-dipyridin-3-ylaniline
CID 46316358

Frequently Asked Questions

What is the IUPAC name of 6-pyridin-3-ylisoquinolin-5-amine?
The IUPAC name of 6-pyridin-3-ylisoquinolin-5-amine (CID 82583202) is 6-pyridin-3-ylisoquinolin-5-amine.
What is the SMILES notation for 6-pyridin-3-ylisoquinolin-5-amine?
The canonical SMILES for 6-pyridin-3-ylisoquinolin-5-amine is Nc1c(-c2cccnc2)ccc2cnccc12.
What is the InChIKey of 6-pyridin-3-ylisoquinolin-5-amine?
The InChIKey is FRXJTBBAVKWWTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11N3/c15-14-12(10-2-1-6-16-8-10)4-3-11-9-17-7-5-13(11)14/h1-9H,15H2.
What are the key properties of 6-pyridin-3-ylisoquinolin-5-amine?
6-pyridin-3-ylisoquinolin-5-amine has a molecular weight of 221.26 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pyridin-3-ylisoquinolin-5-amine is sourced from PubChem (CID 82583202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).