4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

C10H11ClN4O2 — CID 175122167

IUPAC4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESNc1nnc(Cl)cc1C1=CCN(C(=O)O)CC1
InChIInChI=1S/C10H11ClN4O2/c11-8-5-7(9(12)14-13-8)6-1-3-15(4-2-6)10(16)17/h1,5H,2-4H2,(H2,12,14)(H,16,17)
InChIKeyWQEWNQKGWMWLSU-UHFFFAOYSA-N
MW254.68 g/mol
LogP1.48
Rot. Bonds1

About 4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 175122167) has the molecular formula C10H11ClN4O2 and a molecular weight of 254.68 g/mol. Its IUPAC name is 4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID175122167
Molecular FormulaC10H11ClN4O2
Molecular Weight254.68 g/mol
Exact Mass254.06
IUPAC Name4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESNc1nnc(Cl)cc1C1=CCN(C(=O)O)CC1
InChIInChI=1S/C10H11ClN4O2/c11-8-5-7(9(12)14-13-8)6-1-3-15(4-2-6)10(16)17/h1,5H,2-4H2,(H2,12,14)(H,16,17)
InChIKeyWQEWNQKGWMWLSU-UHFFFAOYSA-N
XLogP1.48
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.68
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 175122167) is 4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is Nc1nnc(Cl)cc1C1=CCN(C(=O)O)CC1.
What is the InChIKey of 4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is WQEWNQKGWMWLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClN4O2/c11-8-5-7(9(12)14-13-8)6-1-3-15(4-2-6)10(16)17/h1,5H,2-4H2,(H2,12,14)(H,16,17).
What are the key properties of 4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 254.68 g/mol, XLogP of 1.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-amino-6-chloropyridazin-4-yl)-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 175122167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).