carbon dioxide;6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2-carboxylate

C15H7F3N5O4- — CID 176538512

IUPACcarbon dioxide;6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2-carboxylate
SMILESO=C([O-])c1cccc(-c2cncc(-c3cc(C(F)(F)F)[nH]n3)n2)n1.O=C=O
InChIInChI=1S/C14H8F3N5O2.CO2/c15-14(16,17)12-4-9(21-22-12)11-6-18-5-10(20-11)7-2-1-3-8(19-7)13(23)24;2-1-3/h1-6H,(H,21,22)(H,23,24);/p-1
InChIKeySOUJOUXEZBJGAP-UHFFFAOYSA-M
MW378.25 g/mol
LogP0.73
Rot. Bonds3

About carbon dioxide;6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2-carboxylate

carbon dioxide;6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2-carboxylate (PubChem CID 176538512) has the molecular formula C15H7F3N5O4- and a molecular weight of 378.25 g/mol. Its IUPAC name is carbon dioxide;6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2-carboxylate.

Molecular Properties

Compound Namecarbon dioxide;6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2-carboxylate
PubChem CID176538512
Molecular FormulaC15H7F3N5O4-
Molecular Weight378.25 g/mol
Exact Mass378.05
IUPAC Namecarbon dioxide;6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2-carboxylate
SMILESO=C([O-])c1cccc(-c2cncc(-c3cc(C(F)(F)F)[nH]n3)n2)n1.O=C=O
InChIInChI=1S/C14H8F3N5O2.CO2/c15-14(16,17)12-4-9(21-22-12)11-6-18-5-10(20-11)7-2-1-3-8(19-7)13(23)24;2-1-3/h1-6H,(H,21,22)(H,23,24);/p-1
InChIKeySOUJOUXEZBJGAP-UHFFFAOYSA-M
XLogP0.73
TPSA141.62 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-(2-Pyridinyl)-1H-pyrazole-5-carboxylic acid
CID 665156
3-pyridin-2-yl-1H-pyrazole-5-carboxylate
CID 2042241
6-(5-Pyrazolyl)pyridine-2-carboxylic Acid
CID 82404818
4-(4-Pyridin-2-yltriazol-1-yl)pyridine-2,6-dicarboxylic acid
CID 141620263
4-[3-(4-fluorophenyl)-1H-pyrazol-4-yl)-2-pyridinecarboxylate
CID 22037704
5-(5-Fluoro-2-pyridyl)-1-(3-pyridyl)-1H-pyrazole-3-carboxylic acid
CID 23143456
5-(3-Pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyridine-2-carboxylic acid
CID 57861798
2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]pyridine-4-carboxylic acid
CID 57937093
6-[3-(Trifluoromethyl)-1H-pyrazole-5-yl]-2,2'-bipyridine-4,4'-dicarboxylic acid
CID 89761964
6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2-carboxylic acid
CID 117624281
6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2,3-dicarboxylic acid
CID 117625904
6-[3-(Trifluoromethyl)-1H-pyrazol-4-yl]-2-pyridinecarboxylic acid
CID 118173124

Frequently Asked Questions

What is the IUPAC name of carbon dioxide;6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2-carboxylate?
The IUPAC name of carbon dioxide;6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2-carboxylate (CID 176538512) is carbon dioxide;6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2-carboxylate.
What is the SMILES notation for carbon dioxide;6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2-carboxylate?
The canonical SMILES for carbon dioxide;6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2-carboxylate is O=C([O-])c1cccc(-c2cncc(-c3cc(C(F)(F)F)[nH]n3)n2)n1.O=C=O.
What is the InChIKey of carbon dioxide;6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2-carboxylate?
The InChIKey is SOUJOUXEZBJGAP-UHFFFAOYSA-M. The full InChI is InChI=1S/C14H8F3N5O2.CO2/c15-14(16,17)12-4-9(21-22-12)11-6-18-5-10(20-11)7-2-1-3-8(19-7)13(23)24;2-1-3/h1-6H,(H,21,22)(H,23,24);/p-1.
What are the key properties of carbon dioxide;6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2-carboxylate?
carbon dioxide;6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2-carboxylate has a molecular weight of 378.25 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for carbon dioxide;6-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pyrazin-2-yl]pyridine-2-carboxylate is sourced from PubChem (CID 176538512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).