1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid

C15H9ClN2O3 — CID 106765808

IUPAC1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid
SMILESO=C(O)c1cnc(Oc2cncc(Cl)c2)c2ccccc12
InChIInChI=1S/C15H9ClN2O3/c16-9-5-10(7-17-6-9)21-14-12-4-2-1-3-11(12)13(8-18-14)15(19)20/h1-8H,(H,19,20)
InChIKeyJWTZVMIJXXJSIX-UHFFFAOYSA-N
MW300.70 g/mol
LogP3.77
Rot. Bonds3

About 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid

1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid (PubChem CID 106765808) has the molecular formula C15H9ClN2O3 and a molecular weight of 300.70 g/mol. Its IUPAC name is 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid
PubChem CID106765808
Molecular FormulaC15H9ClN2O3
Molecular Weight300.70 g/mol
Exact Mass300.03
IUPAC Name1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid
SMILESO=C(O)c1cnc(Oc2cncc(Cl)c2)c2ccccc12
InChIInChI=1S/C15H9ClN2O3/c16-9-5-10(7-17-6-9)21-14-12-4-2-1-3-11(12)13(8-18-14)15(19)20/h1-8H,(H,19,20)
InChIKeyJWTZVMIJXXJSIX-UHFFFAOYSA-N
XLogP3.77
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.70
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-3-carboxylic acid
CID 64600585
1-(4-iodophenoxy)isoquinoline-4-carboxylic acid
CID 106765782
2-[(5-chloro-3-pyridinyl)oxy]-3-fluorobenzoic acid
CID 64601752
5-amino-3-chloro-2-[(5-chloro-3-pyridinyl)oxy]benzoic acid
CID 107197944
5-amino-2-[(5-chloro-3-pyridinyl)oxy]pyridine-3-carboxamide
CID 64600181
2-[2-[(5-chloro-3-pyridinyl)oxy]phenyl]acetic acid
CID 21078394
5-amino-6-[(5-chloro-3-pyridinyl)oxy]pyridine-2-carboxylic acid
CID 114409020
2-amino-5-[(3,5-dichloro-2-pyridinyl)oxy]benzoic acid
CID 43566444
4-[(5-chloro-3-pyridinyl)oxy]-N-methylquinazolin-2-amine
CID 80877516
[4-[(5-chloro-3-pyridinyl)oxy]quinazolin-2-yl]hydrazine
CID 80921560
3-[(5-chloro-3-pyridinyl)oxy]-4-methylbenzoic acid
CID 105405869
2-(3-chlorophenoxy)-5-fluoropyridine-3-carboxylic acid
CID 67367395

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid?
The IUPAC name of 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid (CID 106765808) is 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid.
What is the SMILES notation for 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid?
The canonical SMILES for 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid is O=C(O)c1cnc(Oc2cncc(Cl)c2)c2ccccc12.
What is the InChIKey of 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid?
The InChIKey is JWTZVMIJXXJSIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClN2O3/c16-9-5-10(7-17-6-9)21-14-12-4-2-1-3-11(12)13(8-18-14)15(19)20/h1-8H,(H,19,20).
What are the key properties of 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid?
1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid has a molecular weight of 300.70 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloro-3-pyridinyl)oxy]isoquinoline-4-carboxylic acid is sourced from PubChem (CID 106765808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).