6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine

C14H11ClN4 — CID 115474338

IUPAC6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1Nc1cccc2ccncc12
InChIInChI=1S/C14H11ClN4/c15-13-5-4-11(16)14(19-13)18-12-3-1-2-9-6-7-17-8-10(9)12/h1-8H,16H2,(H,18,19)
InChIKeyNJMGUPNOGFIZOU-UHFFFAOYSA-N
MW270.72 g/mol
LogP3.61
Rot. Bonds2

About 6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine

6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine (PubChem CID 115474338) has the molecular formula C14H11ClN4 and a molecular weight of 270.72 g/mol. Its IUPAC name is 6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine
PubChem CID115474338
Molecular FormulaC14H11ClN4
Molecular Weight270.72 g/mol
Exact Mass270.07
IUPAC Name6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1Nc1cccc2ccncc12
InChIInChI=1S/C14H11ClN4/c15-13-5-4-11(16)14(19-13)18-12-3-1-2-9-6-7-17-8-10(9)12/h1-8H,16H2,(H,18,19)
InChIKeyNJMGUPNOGFIZOU-UHFFFAOYSA-N
XLogP3.61
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.72
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,6-dichloro-1-N-isoquinolin-8-ylbenzene-1,4-diamine
CID 106890617
6-chloro-2-N-(2,3-dichlorophenyl)pyridine-2,3-diamine
CID 115473651
2-N-isoquinolin-8-yl-3-nitropyridine-2,6-diamine
CID 80840181
6-chloro-2-N-(2-iodophenyl)pyridine-2,3-diamine
CID 115473632
N-(6-hydrazinyl-2,5-dimethylpyrimidin-4-yl)isoquinolin-8-amine
CID 80930024
2-ethyl-4-N-isoquinolin-8-yl-5-methylpyrimidine-4,6-diamine
CID 80992137
6-chloro-2-N-(5-chloroquinolin-8-yl)pyridine-2,3-diamine
CID 116783040
4-N-isoquinolin-8-yl-2-methylpyrimidine-4,6-diamine
CID 80851740
6-chloro-2-N-pyridin-2-ylpyridine-2,3-diamine
CID 53486868
2-amino-4-(isoquinolin-8-ylamino)benzoic acid
CID 104500796
4-N-isoquinolin-8-yl-2-methylsulfanylpyrimidine-4,6-diamine
CID 80852329
isoquinolin-8-ylurea
CID 67363282

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine (CID 115474338) is 6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine is Nc1ccc(Cl)nc1Nc1cccc2ccncc12.
What is the InChIKey of 6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine?
The InChIKey is NJMGUPNOGFIZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN4/c15-13-5-4-11(16)14(19-13)18-12-3-1-2-9-6-7-17-8-10(9)12/h1-8H,16H2,(H,18,19).
What are the key properties of 6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine?
6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine has a molecular weight of 270.72 g/mol, XLogP of 3.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-isoquinolin-8-ylpyridine-2,3-diamine is sourced from PubChem (CID 115474338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).