N-(5-bromo-2-pyridinyl)isoquinolin-6-amine

C14H10BrN3 — CID 134194515

IUPACN-(5-bromo-2-pyridinyl)isoquinolin-6-amine
SMILESBrc1ccc(Nc2ccc3cnccc3c2)nc1
InChIInChI=1S/C14H10BrN3/c15-12-2-4-14(17-9-12)18-13-3-1-11-8-16-6-5-10(11)7-13/h1-9H,(H,17,18)
InChIKeyHYXLTRDVEMTVQK-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.14
Rot. Bonds2

About N-(5-bromo-2-pyridinyl)isoquinolin-6-amine

N-(5-bromo-2-pyridinyl)isoquinolin-6-amine (PubChem CID 134194515) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)isoquinolin-6-amine.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)isoquinolin-6-amine
PubChem CID134194515
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC NameN-(5-bromo-2-pyridinyl)isoquinolin-6-amine
SMILESBrc1ccc(Nc2ccc3cnccc3c2)nc1
InChIInChI=1S/C14H10BrN3/c15-12-2-4-14(17-9-12)18-13-3-1-11-8-16-6-5-10(11)7-13/h1-9H,(H,17,18)
InChIKeyHYXLTRDVEMTVQK-UHFFFAOYSA-N
XLogP4.14
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.16
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)isoquinolin-6-amine?
The IUPAC name of N-(5-bromo-2-pyridinyl)isoquinolin-6-amine (CID 134194515) is N-(5-bromo-2-pyridinyl)isoquinolin-6-amine.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)isoquinolin-6-amine?
The canonical SMILES for N-(5-bromo-2-pyridinyl)isoquinolin-6-amine is Brc1ccc(Nc2ccc3cnccc3c2)nc1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)isoquinolin-6-amine?
The InChIKey is HYXLTRDVEMTVQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-12-2-4-14(17-9-12)18-13-3-1-11-8-16-6-5-10(11)7-13/h1-9H,(H,17,18).
What are the key properties of N-(5-bromo-2-pyridinyl)isoquinolin-6-amine?
N-(5-bromo-2-pyridinyl)isoquinolin-6-amine has a molecular weight of 300.16 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)isoquinolin-6-amine is sourced from PubChem (CID 134194515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).