3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid

C15H10ClN3O2 — CID 43808588

IUPAC3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Nc2cccc3cnccc23)ccc1Cl
InChIInChI=1S/C15H10ClN3O2/c16-11-4-5-13(19-14(11)15(20)21)18-12-3-1-2-9-8-17-7-6-10(9)12/h1-8H,(H,18,19)(H,20,21)
InChIKeyWDYOVFQDYWEKTD-UHFFFAOYSA-N
MW299.72 g/mol
LogP3.72
Rot. Bonds3

About 3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid

3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid (PubChem CID 43808588) has the molecular formula C15H10ClN3O2 and a molecular weight of 299.72 g/mol. Its IUPAC name is 3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid
PubChem CID43808588
Molecular FormulaC15H10ClN3O2
Molecular Weight299.72 g/mol
Exact Mass299.05
IUPAC Name3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1nc(Nc2cccc3cnccc23)ccc1Cl
InChIInChI=1S/C15H10ClN3O2/c16-11-4-5-13(19-14(11)15(20)21)18-12-3-1-2-9-8-17-7-6-10(9)12/h1-8H,(H,18,19)(H,20,21)
InChIKeyWDYOVFQDYWEKTD-UHFFFAOYSA-N
XLogP3.72
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.72
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(isoquinolin-5-ylamino)pyrazine-2-carboxylic acid
CID 66458597
5-chloro-2-(isoquinolin-5-ylamino)benzoic acid
CID 63537323
3-chloro-6-(2,6-dichloroanilino)pyridine-2-carboxylic acid
CID 65499398
4-(isoquinolin-5-ylamino)benzoic acid
CID 62232370
2-(isoquinolin-5-ylamino)-4-phenylbenzoic acid
CID 68958440
3-chloro-6-(2-cyano-3-methylanilino)pyridine-2-carboxylic acid
CID 107799280
N-(4,6-dichloro-1,3,5-triazin-2-yl)isoquinolin-5-amine
CID 62869400
3-amino-4-(isoquinolin-5-ylamino)benzoic acid
CID 60989394
2-amino-3-chloro-N-isoquinolin-5-ylbenzamide
CID 115540126
methyl 4-chloro-2-(isoquinolin-5-ylamino)-1,3-thiazole-5-carboxylate
CID 60845100
3-isoquinolin-5-ylpyridine-2-carboxylic acid
CID 107525025
6-chloroisoquinoline-5-carboxylic acid
CID 82574726

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid?
The IUPAC name of 3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid (CID 43808588) is 3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid is O=C(O)c1nc(Nc2cccc3cnccc23)ccc1Cl.
What is the InChIKey of 3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid?
The InChIKey is WDYOVFQDYWEKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O2/c16-11-4-5-13(19-14(11)15(20)21)18-12-3-1-2-9-8-17-7-6-10(9)12/h1-8H,(H,18,19)(H,20,21).
What are the key properties of 3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid?
3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid has a molecular weight of 299.72 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-(isoquinolin-5-ylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 43808588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).