2-[(2-oxo-1-pyridinyl)methyl]-2-(trifluoromethyl)chromene-3-carboxylic acid

C17H12F3NO4 — CID 151952299

IUPAC2-[(2-oxo-1-pyridinyl)methyl]-2-(trifluoromethyl)chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2ccccc2OC1(Cn1ccccc1=O)C(F)(F)F
InChIInChI=1S/C17H12F3NO4/c18-17(19,20)16(10-21-8-4-3-7-14(21)22)12(15(23)24)9-11-5-1-2-6-13(11)25-16/h1-9H,10H2,(H,23,24)
InChIKeyTWXHKIPDMVQDKJ-UHFFFAOYSA-N
MW351.28 g/mol
LogP2.71
Rot. Bonds3

About 2-[(2-oxo-1-pyridinyl)methyl]-2-(trifluoromethyl)chromene-3-carboxylic acid

2-[(2-oxo-1-pyridinyl)methyl]-2-(trifluoromethyl)chromene-3-carboxylic acid (PubChem CID 151952299) has the molecular formula C17H12F3NO4 and a molecular weight of 351.28 g/mol. Its IUPAC name is 2-[(2-oxo-1-pyridinyl)methyl]-2-(trifluoromethyl)chromene-3-carboxylic acid.

Molecular Properties

Compound Name2-[(2-oxo-1-pyridinyl)methyl]-2-(trifluoromethyl)chromene-3-carboxylic acid
PubChem CID151952299
Molecular FormulaC17H12F3NO4
Molecular Weight351.28 g/mol
Exact Mass351.07
IUPAC Name2-[(2-oxo-1-pyridinyl)methyl]-2-(trifluoromethyl)chromene-3-carboxylic acid
SMILESO=C(O)C1=Cc2ccccc2OC1(Cn1ccccc1=O)C(F)(F)F
InChIInChI=1S/C17H12F3NO4/c18-17(19,20)16(10-21-8-4-3-7-14(21)22)12(15(23)24)9-11-5-1-2-6-13(11)25-16/h1-9H,10H2,(H,23,24)
InChIKeyTWXHKIPDMVQDKJ-UHFFFAOYSA-N
XLogP2.71
TPSA68.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.28
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-oxo-1-pyridinyl)methyl]-2-(trifluoromethyl)chromene-3-carboxylic acid?
The IUPAC name of 2-[(2-oxo-1-pyridinyl)methyl]-2-(trifluoromethyl)chromene-3-carboxylic acid (CID 151952299) is 2-[(2-oxo-1-pyridinyl)methyl]-2-(trifluoromethyl)chromene-3-carboxylic acid.
What is the SMILES notation for 2-[(2-oxo-1-pyridinyl)methyl]-2-(trifluoromethyl)chromene-3-carboxylic acid?
The canonical SMILES for 2-[(2-oxo-1-pyridinyl)methyl]-2-(trifluoromethyl)chromene-3-carboxylic acid is O=C(O)C1=Cc2ccccc2OC1(Cn1ccccc1=O)C(F)(F)F.
What is the InChIKey of 2-[(2-oxo-1-pyridinyl)methyl]-2-(trifluoromethyl)chromene-3-carboxylic acid?
The InChIKey is TWXHKIPDMVQDKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3NO4/c18-17(19,20)16(10-21-8-4-3-7-14(21)22)12(15(23)24)9-11-5-1-2-6-13(11)25-16/h1-9H,10H2,(H,23,24).
What are the key properties of 2-[(2-oxo-1-pyridinyl)methyl]-2-(trifluoromethyl)chromene-3-carboxylic acid?
2-[(2-oxo-1-pyridinyl)methyl]-2-(trifluoromethyl)chromene-3-carboxylic acid has a molecular weight of 351.28 g/mol, XLogP of 2.71, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-oxo-1-pyridinyl)methyl]-2-(trifluoromethyl)chromene-3-carboxylic acid is sourced from PubChem (CID 151952299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).