3-pyrimidin-5-ylpyridine-4-carboxylic acid

C10H7N3O2 — CID 66475076

IUPAC3-pyrimidin-5-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1-c1cncnc1
InChIInChI=1S/C10H7N3O2/c14-10(15)8-1-2-11-5-9(8)7-3-12-6-13-4-7/h1-6H,(H,14,15)
InChIKeyYRGNDZNJACFAOA-UHFFFAOYSA-N
MW201.19 g/mol
LogP1.24
Rot. Bonds2

About 3-pyrimidin-5-ylpyridine-4-carboxylic acid

3-pyrimidin-5-ylpyridine-4-carboxylic acid (PubChem CID 66475076) has the molecular formula C10H7N3O2 and a molecular weight of 201.19 g/mol. Its IUPAC name is 3-pyrimidin-5-ylpyridine-4-carboxylic acid.

Molecular Properties

Compound Name3-pyrimidin-5-ylpyridine-4-carboxylic acid
PubChem CID66475076
Molecular FormulaC10H7N3O2
Molecular Weight201.19 g/mol
Exact Mass201.05
IUPAC Name3-pyrimidin-5-ylpyridine-4-carboxylic acid
SMILESO=C(O)c1ccncc1-c1cncnc1
InChIInChI=1S/C10H7N3O2/c14-10(15)8-1-2-11-5-9(8)7-3-12-6-13-4-7/h1-6H,(H,14,15)
InChIKeyYRGNDZNJACFAOA-UHFFFAOYSA-N
XLogP1.24
TPSA75.97 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-carboxy-3-pyridinyl)pyridine-4-carboxylic acid
CID 91435588
3-(4-methylphenyl)pyridine-4-carboxylic acid
CID 19865918
3-(3-carboxyphenyl)pyridine-4-carboxylic acid
CID 53223171
3-(4-methylsulfonylphenyl)pyridine-4-carboxylic acid
CID 53224225
3-[4-(difluoromethylsulfanyl)phenyl]pyridine-4-carboxylic acid
CID 66474465
pyridine-3,4-dicarboxylic acid;dihydrochloride
CID 70421739
3-(3-acetamidophenyl)pyridine-4-carboxylic acid
CID 53223642
3-(2-chlorophenyl)pyridine-4-carboxylic acid
CID 53222992
3-(2-fluorophenyl)pyridine-4-carboxylic acid
CID 46313119
3-(2,4,5-trifluorophenyl)pyridine-4-carboxylic acid
CID 115503075
3-(4-methyl-1,3-thiazol-5-yl)pyridine-4-carboxylic acid
CID 164650911
3-(4-pyrrolidin-1-ylsulfonylphenyl)pyridine-4-carboxylic acid
CID 53224683

Frequently Asked Questions

What is the IUPAC name of 3-pyrimidin-5-ylpyridine-4-carboxylic acid?
The IUPAC name of 3-pyrimidin-5-ylpyridine-4-carboxylic acid (CID 66475076) is 3-pyrimidin-5-ylpyridine-4-carboxylic acid.
What is the SMILES notation for 3-pyrimidin-5-ylpyridine-4-carboxylic acid?
The canonical SMILES for 3-pyrimidin-5-ylpyridine-4-carboxylic acid is O=C(O)c1ccncc1-c1cncnc1.
What is the InChIKey of 3-pyrimidin-5-ylpyridine-4-carboxylic acid?
The InChIKey is YRGNDZNJACFAOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O2/c14-10(15)8-1-2-11-5-9(8)7-3-12-6-13-4-7/h1-6H,(H,14,15).
What are the key properties of 3-pyrimidin-5-ylpyridine-4-carboxylic acid?
3-pyrimidin-5-ylpyridine-4-carboxylic acid has a molecular weight of 201.19 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrimidin-5-ylpyridine-4-carboxylic acid is sourced from PubChem (CID 66475076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).