2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid

C11H7N3O4 — CID 117213051

IUPAC2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)Oc2cccnc2)n1
InChIInChI=1S/C11H7N3O4/c15-10(16)8-3-5-13-9(14-8)11(17)18-7-2-1-4-12-6-7/h1-6H,(H,15,16)
InChIKeyXUHIUIOWHYQMSC-UHFFFAOYSA-N
MW245.19 g/mol
LogP0.79
Rot. Bonds3

About 2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid

2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid (PubChem CID 117213051) has the molecular formula C11H7N3O4 and a molecular weight of 245.19 g/mol. Its IUPAC name is 2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid
PubChem CID117213051
Molecular FormulaC11H7N3O4
Molecular Weight245.19 g/mol
Exact Mass245.04
IUPAC Name2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid
SMILESO=C(O)c1ccnc(C(=O)Oc2cccnc2)n1
InChIInChI=1S/C11H7N3O4/c15-10(16)8-3-5-13-9(14-8)11(17)18-7-2-1-4-12-6-7/h1-6H,(H,15,16)
InChIKeyXUHIUIOWHYQMSC-UHFFFAOYSA-N
XLogP0.79
TPSA102.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(trifluoromethyl)phenoxy]carbonylpyrimidine-4-carboxylic acid
CID 117213044
tripyridin-3-yl benzene-1,3,5-tricarboxylate
CID 102031459
3-pyridin-3-yloxycarbonyl-1,2-oxazole-5-carboxylic acid
CID 117215056
4-(3-chlorophenoxy)carbonylpyrimidine-2-carboxylic acid
CID 117212836
5-pyridin-3-yloxycarbonyl-1,2-thiazole-4-carboxylic acid
CID 117218877
pyridin-3-yl 1H-imidazo[4,5-b]pyridine-2-carboxylate
CID 164704440
4-oxo-4-pyridin-3-yloxybut-2-enoic acid
CID 57184664
2-methylsulfanylcarbonylpyrimidine-4-carboxylic acid
CID 117213059
pyridin-3-yl 3-amino-1H-pyrazole-5-carboxylate
CID 117215308
pyridin-3-yl 5-bromofuran-2-carboxylate
CID 5244119
5-(pyridin-3-yloxymethyl)-1H-pyrazole-3-carboxylic acid
CID 117215982
(3-fluorophenyl) 4-aminopyrimidine-2-carboxylate
CID 117213026

Frequently Asked Questions

What is the IUPAC name of 2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid?
The IUPAC name of 2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid (CID 117213051) is 2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid?
The canonical SMILES for 2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid is O=C(O)c1ccnc(C(=O)Oc2cccnc2)n1.
What is the InChIKey of 2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid?
The InChIKey is XUHIUIOWHYQMSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O4/c15-10(16)8-3-5-13-9(14-8)11(17)18-7-2-1-4-12-6-7/h1-6H,(H,15,16).
What are the key properties of 2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid?
2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid has a molecular weight of 245.19 g/mol, XLogP of 0.79, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyridin-3-yloxycarbonylpyrimidine-4-carboxylic acid is sourced from PubChem (CID 117213051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).