4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

C16H15FN4O3 — CID 175122170

IUPAC4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESNc1nnc(-c2cccc(F)c2O)cc1C1=CCN(C(=O)O)CC1
InChIInChI=1S/C16H15FN4O3/c17-12-3-1-2-10(14(12)22)13-8-11(15(18)20-19-13)9-4-6-21(7-5-9)16(23)24/h1-4,8,22H,5-7H2,(H2,18,20)(H,23,24)
InChIKeyGBCFZQZTMDZWNZ-UHFFFAOYSA-N
MW330.32 g/mol
LogP2.34
Rot. Bonds2

About 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid

4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (PubChem CID 175122170) has the molecular formula C16H15FN4O3 and a molecular weight of 330.32 g/mol. Its IUPAC name is 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.

Molecular Properties

Compound Name4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
PubChem CID175122170
Molecular FormulaC16H15FN4O3
Molecular Weight330.32 g/mol
Exact Mass330.11
IUPAC Name4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid
SMILESNc1nnc(-c2cccc(F)c2O)cc1C1=CCN(C(=O)O)CC1
InChIInChI=1S/C16H15FN4O3/c17-12-3-1-2-10(14(12)22)13-8-11(15(18)20-19-13)9-4-6-21(7-5-9)16(23)24/h1-4,8,22H,5-7H2,(H2,18,20)(H,23,24)
InChIKeyGBCFZQZTMDZWNZ-UHFFFAOYSA-N
XLogP2.34
TPSA112.57 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.32
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The IUPAC name of 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid (CID 175122170) is 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid.
What is the SMILES notation for 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The canonical SMILES for 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is Nc1nnc(-c2cccc(F)c2O)cc1C1=CCN(C(=O)O)CC1.
What is the InChIKey of 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
The InChIKey is GBCFZQZTMDZWNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O3/c17-12-3-1-2-10(14(12)22)13-8-11(15(18)20-19-13)9-4-6-21(7-5-9)16(23)24/h1-4,8,22H,5-7H2,(H2,18,20)(H,23,24).
What are the key properties of 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid?
4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid has a molecular weight of 330.32 g/mol, XLogP of 2.34, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-amino-6-(3-fluoro-2-hydroxyphenyl)pyridazin-4-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid is sourced from PubChem (CID 175122170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).