N-(5-bromo-3-pyridinyl)isoquinolin-8-amine

C14H10BrN3 — CID 104531874

IUPACN-(5-bromo-3-pyridinyl)isoquinolin-8-amine
SMILESBrc1cncc(Nc2cccc3ccncc23)c1
InChIInChI=1S/C14H10BrN3/c15-11-6-12(8-17-7-11)18-14-3-1-2-10-4-5-16-9-13(10)14/h1-9,18H
InChIKeyBTAUREBNOKHISD-UHFFFAOYSA-N
MW300.16 g/mol
LogP4.14
Rot. Bonds2

About N-(5-bromo-3-pyridinyl)isoquinolin-8-amine

N-(5-bromo-3-pyridinyl)isoquinolin-8-amine (PubChem CID 104531874) has the molecular formula C14H10BrN3 and a molecular weight of 300.16 g/mol. Its IUPAC name is N-(5-bromo-3-pyridinyl)isoquinolin-8-amine.

Molecular Properties

Compound NameN-(5-bromo-3-pyridinyl)isoquinolin-8-amine
PubChem CID104531874
Molecular FormulaC14H10BrN3
Molecular Weight300.16 g/mol
Exact Mass299.01
IUPAC NameN-(5-bromo-3-pyridinyl)isoquinolin-8-amine
SMILESBrc1cncc(Nc2cccc3ccncc23)c1
InChIInChI=1S/C14H10BrN3/c15-11-6-12(8-17-7-11)18-14-3-1-2-10-4-5-16-9-13(10)14/h1-9,18H
InChIKeyBTAUREBNOKHISD-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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Related Compounds

5-bromo-N-naphthalen-1-ylpyridin-3-amine
CID 113423538
5-bromo-N-(2-phenylphenyl)pyridin-3-amine
CID 104531475
5-N-naphthalen-1-ylpyridine-3,5-diamine
CID 104532218
3-fluoro-5-(isoquinolin-8-ylamino)benzonitrile
CID 102816923
N-(2-benzylphenyl)-5-bromopyridin-3-amine
CID 104531485
2-amino-4-(isoquinolin-8-ylamino)benzoic acid
CID 104500796
2,6-dichloro-1-N-isoquinolin-8-ylbenzene-1,4-diamine
CID 106890617
5-bromo-N-(2,5-dibromophenyl)pyridin-3-amine
CID 104531609
N-(2-methoxyphenyl)isoquinolin-8-amine
CID 82582626
4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine
CID 80851740
5-(5-bromo-3-pyridinyl)isoquinoline
CID 172649263
N-propylisoquinolin-8-amine
CID 54033424

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-3-pyridinyl)isoquinolin-8-amine?
The IUPAC name of N-(5-bromo-3-pyridinyl)isoquinolin-8-amine (CID 104531874) is N-(5-bromo-3-pyridinyl)isoquinolin-8-amine.
What is the SMILES notation for N-(5-bromo-3-pyridinyl)isoquinolin-8-amine?
The canonical SMILES for N-(5-bromo-3-pyridinyl)isoquinolin-8-amine is Brc1cncc(Nc2cccc3ccncc23)c1.
What is the InChIKey of N-(5-bromo-3-pyridinyl)isoquinolin-8-amine?
The InChIKey is BTAUREBNOKHISD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3/c15-11-6-12(8-17-7-11)18-14-3-1-2-10-4-5-16-9-13(10)14/h1-9,18H.
What are the key properties of N-(5-bromo-3-pyridinyl)isoquinolin-8-amine?
N-(5-bromo-3-pyridinyl)isoquinolin-8-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-3-pyridinyl)isoquinolin-8-amine is sourced from PubChem (CID 104531874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).