1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-ol

C14H10ClN3O — CID 170435588

IUPAC1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-ol
SMILESOc1ccc2c(Nc3ccc(Cl)nc3)nccc2c1
InChIInChI=1S/C14H10ClN3O/c15-13-4-1-10(8-17-13)18-14-12-3-2-11(19)7-9(12)5-6-16-14/h1-8,19H,(H,16,18)
InChIKeyAOODDUXZXFCHNS-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.73
Rot. Bonds2

About 1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-ol

1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-ol (PubChem CID 170435588) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-ol.

Molecular Properties

Compound Name1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-ol
PubChem CID170435588
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-ol
SMILESOc1ccc2c(Nc3ccc(Cl)nc3)nccc2c1
InChIInChI=1S/C14H10ClN3O/c15-13-4-1-10(8-17-13)18-14-12-3-2-11(19)7-9(12)5-6-16-14/h1-8,19H,(H,16,18)
InChIKeyAOODDUXZXFCHNS-UHFFFAOYSA-N
XLogP3.73
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.73
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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Frequently Asked Questions

What is the IUPAC name of 1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-ol?
The IUPAC name of 1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-ol (CID 170435588) is 1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-ol.
What is the SMILES notation for 1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-ol?
The canonical SMILES for 1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-ol is Oc1ccc2c(Nc3ccc(Cl)nc3)nccc2c1.
What is the InChIKey of 1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-ol?
The InChIKey is AOODDUXZXFCHNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-13-4-1-10(8-17-13)18-14-12-3-2-11(19)7-9(12)5-6-16-14/h1-8,19H,(H,16,18).
What are the key properties of 1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-ol?
1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-ol has a molecular weight of 271.71 g/mol, XLogP of 3.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(6-chloro-3-pyridinyl)amino]isoquinolin-6-ol is sourced from PubChem (CID 170435588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).