5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid

C12H11N3O3 — CID 81439910

IUPAC5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid
SMILESCc1ncccc1Oc1ncc(C(=O)O)cc1N
InChIInChI=1S/C12H11N3O3/c1-7-10(3-2-4-14-7)18-11-9(13)5-8(6-15-11)12(16)17/h2-6H,13H2,1H3,(H,16,17)
InChIKeyNZNJPVNFBDTPDU-UHFFFAOYSA-N
MW245.24 g/mol
LogP1.86
Rot. Bonds3

About 5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid

5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid (PubChem CID 81439910) has the molecular formula C12H11N3O3 and a molecular weight of 245.24 g/mol. Its IUPAC name is 5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid
PubChem CID81439910
Molecular FormulaC12H11N3O3
Molecular Weight245.24 g/mol
Exact Mass245.08
IUPAC Name5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid
SMILESCc1ncccc1Oc1ncc(C(=O)O)cc1N
InChIInChI=1S/C12H11N3O3/c1-7-10(3-2-4-14-7)18-11-9(13)5-8(6-15-11)12(16)17/h2-6H,13H2,1H3,(H,16,17)
InChIKeyNZNJPVNFBDTPDU-UHFFFAOYSA-N
XLogP1.86
TPSA98.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-6-quinolin-8-yloxypyridine-3-carboxylic acid
CID 81447216
4-amino-3-[(2-methyl-3-pyridinyl)oxy]benzoic acid
CID 82795845
5-amino-6-(2-iodophenoxy)pyridine-3-carboxylic acid
CID 81439625
5-amino-6-(2,3,6-trimethylphenoxy)pyridine-3-carboxylic acid
CID 81439064
5-amino-6-(2,4-dichlorophenoxy)pyridine-3-carboxylic acid
CID 81439243
5-amino-6-(4-methylsulfonylphenoxy)pyridine-3-carboxylic acid
CID 81447419
5-amino-6-(2,5-dibromo-4-methoxyphenoxy)pyridine-3-carboxylic acid
CID 81447618
5-amino-6-[3-(dimethylamino)phenoxy]pyridine-3-carboxylic acid
CID 81439249
5-amino-6-(4-bromo-2-chlorophenoxy)pyridine-3-carboxylic acid
CID 81440012
5-amino-6-ethoxypyridine-3-carboxylic acid
CID 81439997
5-amino-6-(4-propan-2-ylphenoxy)pyridine-3-carboxylic acid
CID 81438860
5-amino-6-[3-(trifluoromethyl)phenoxy]pyridine-3-carboxylic acid
CID 81446828

Frequently Asked Questions

What is the IUPAC name of 5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid?
The IUPAC name of 5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid (CID 81439910) is 5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid?
The canonical SMILES for 5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid is Cc1ncccc1Oc1ncc(C(=O)O)cc1N.
What is the InChIKey of 5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid?
The InChIKey is NZNJPVNFBDTPDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O3/c1-7-10(3-2-4-14-7)18-11-9(13)5-8(6-15-11)12(16)17/h2-6H,13H2,1H3,(H,16,17).
What are the key properties of 5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid?
5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid has a molecular weight of 245.24 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-[(2-methyl-3-pyridinyl)oxy]pyridine-3-carboxylic acid is sourced from PubChem (CID 81439910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).