6-chloro-7-pyridin-2-yloxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

C16H11ClF3NO4 — CID 22639028

IUPAC6-chloro-7-pyridin-2-yloxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1Cc2cc(Cl)c(Oc3ccccn3)cc2OC1C(F)(F)F
InChIInChI=1S/C16H11ClF3NO4/c17-10-6-8-5-9(15(22)23)14(16(18,19)20)25-11(8)7-12(10)24-13-3-1-2-4-21-13/h1-4,6-7,9,14H,5H2,(H,22,23)
InChIKeyTYZRJAVWAHYZLP-UHFFFAOYSA-N
MW373.71 g/mol
LogP4.09
Rot. Bonds3

About 6-chloro-7-pyridin-2-yloxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid

6-chloro-7-pyridin-2-yloxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid (PubChem CID 22639028) has the molecular formula C16H11ClF3NO4 and a molecular weight of 373.71 g/mol. Its IUPAC name is 6-chloro-7-pyridin-2-yloxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid.

Molecular Properties

Compound Name6-chloro-7-pyridin-2-yloxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
PubChem CID22639028
Molecular FormulaC16H11ClF3NO4
Molecular Weight373.71 g/mol
Exact Mass373.03
IUPAC Name6-chloro-7-pyridin-2-yloxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid
SMILESO=C(O)C1Cc2cc(Cl)c(Oc3ccccn3)cc2OC1C(F)(F)F
InChIInChI=1S/C16H11ClF3NO4/c17-10-6-8-5-9(15(22)23)14(16(18,19)20)25-11(8)7-12(10)24-13-3-1-2-4-21-13/h1-4,6-7,9,14H,5H2,(H,22,23)
InChIKeyTYZRJAVWAHYZLP-UHFFFAOYSA-N
XLogP4.09
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.71
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-7-pyridin-2-yloxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The IUPAC name of 6-chloro-7-pyridin-2-yloxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid (CID 22639028) is 6-chloro-7-pyridin-2-yloxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid.
What is the SMILES notation for 6-chloro-7-pyridin-2-yloxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The canonical SMILES for 6-chloro-7-pyridin-2-yloxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid is O=C(O)C1Cc2cc(Cl)c(Oc3ccccn3)cc2OC1C(F)(F)F.
What is the InChIKey of 6-chloro-7-pyridin-2-yloxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
The InChIKey is TYZRJAVWAHYZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClF3NO4/c17-10-6-8-5-9(15(22)23)14(16(18,19)20)25-11(8)7-12(10)24-13-3-1-2-4-21-13/h1-4,6-7,9,14H,5H2,(H,22,23).
What are the key properties of 6-chloro-7-pyridin-2-yloxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid?
6-chloro-7-pyridin-2-yloxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid has a molecular weight of 373.71 g/mol, XLogP of 4.09, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-7-pyridin-2-yloxy-2-(trifluoromethyl)-3,4-dihydro-2H-chromene-3-carboxylic acid is sourced from PubChem (CID 22639028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).