3-(3-amino-8-chlorocinnolin-6-yl)pyridine-4-carboxylic acid

C14H9ClN4O2 — CID 175186627

IUPAC3-(3-amino-8-chlorocinnolin-6-yl)pyridine-4-carboxylic acid
SMILESNc1cc2cc(-c3cnccc3C(=O)O)cc(Cl)c2nn1
InChIInChI=1S/C14H9ClN4O2/c15-11-4-7(3-8-5-12(16)18-19-13(8)11)10-6-17-2-1-9(10)14(20)21/h1-6H,(H2,16,18)(H,20,21)
InChIKeyCCHUTSNVIYBBKN-UHFFFAOYSA-N
MW300.71 g/mol
LogP2.63
Rot. Bonds2

About 3-(3-amino-8-chlorocinnolin-6-yl)pyridine-4-carboxylic acid

3-(3-amino-8-chlorocinnolin-6-yl)pyridine-4-carboxylic acid (PubChem CID 175186627) has the molecular formula C14H9ClN4O2 and a molecular weight of 300.71 g/mol. Its IUPAC name is 3-(3-amino-8-chlorocinnolin-6-yl)pyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-amino-8-chlorocinnolin-6-yl)pyridine-4-carboxylic acid
PubChem CID175186627
Molecular FormulaC14H9ClN4O2
Molecular Weight300.71 g/mol
Exact Mass300.04
IUPAC Name3-(3-amino-8-chlorocinnolin-6-yl)pyridine-4-carboxylic acid
SMILESNc1cc2cc(-c3cnccc3C(=O)O)cc(Cl)c2nn1
InChIInChI=1S/C14H9ClN4O2/c15-11-4-7(3-8-5-12(16)18-19-13(8)11)10-6-17-2-1-9(10)14(20)21/h1-6H,(H2,16,18)(H,20,21)
InChIKeyCCHUTSNVIYBBKN-UHFFFAOYSA-N
XLogP2.63
TPSA101.99 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.71
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

8-chloro-6-(3-methyl-4-pyridinyl)cinnolin-3-amine
CID 146469796
3-(2,5-dichlorophenyl)pyridine-4-carboxylic acid
CID 53224000
3-(2-chlorophenyl)pyridine-4-carboxylic acid
CID 53222992
3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
3-pyrimidin-5-ylpyridine-4-carboxylic acid
CID 66475076
3-(2,3,4,6-tetrachlorophenyl)pyridine-4-carboxylic acid
CID 105349855
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
4-(3,4-dichlorophenyl)pyridine-3-carboxylic acid
CID 14182189
3-(2-chloro-4-methylphenyl)pyridine-4-carboxylic acid
CID 53223423
8-chloro-6-(4-methyl-1,2-thiazol-5-yl)cinnolin-3-amine
CID 146469810
3-(3-carboxyphenyl)pyridine-4-carboxylic acid
CID 53223171
4-(3-carboxy-4-chlorophenyl)pyridine-3-carboxylic acid
CID 53229597

Frequently Asked Questions

What is the IUPAC name of 3-(3-amino-8-chlorocinnolin-6-yl)pyridine-4-carboxylic acid?
The IUPAC name of 3-(3-amino-8-chlorocinnolin-6-yl)pyridine-4-carboxylic acid (CID 175186627) is 3-(3-amino-8-chlorocinnolin-6-yl)pyridine-4-carboxylic acid.
What is the SMILES notation for 3-(3-amino-8-chlorocinnolin-6-yl)pyridine-4-carboxylic acid?
The canonical SMILES for 3-(3-amino-8-chlorocinnolin-6-yl)pyridine-4-carboxylic acid is Nc1cc2cc(-c3cnccc3C(=O)O)cc(Cl)c2nn1.
What is the InChIKey of 3-(3-amino-8-chlorocinnolin-6-yl)pyridine-4-carboxylic acid?
The InChIKey is CCHUTSNVIYBBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClN4O2/c15-11-4-7(3-8-5-12(16)18-19-13(8)11)10-6-17-2-1-9(10)14(20)21/h1-6H,(H2,16,18)(H,20,21).
What are the key properties of 3-(3-amino-8-chlorocinnolin-6-yl)pyridine-4-carboxylic acid?
3-(3-amino-8-chlorocinnolin-6-yl)pyridine-4-carboxylic acid has a molecular weight of 300.71 g/mol, XLogP of 2.63, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-amino-8-chlorocinnolin-6-yl)pyridine-4-carboxylic acid is sourced from PubChem (CID 175186627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).