(2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate

C18H13Cl2NO4 — CID 7750795

IUPAC(2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate
SMILESCCCc1cc(=O)oc2cc(OC(=O)c3cnc(Cl)c(Cl)c3)ccc12
InChIInChI=1S/C18H13Cl2NO4/c1-2-3-10-7-16(22)25-15-8-12(4-5-13(10)15)24-18(23)11-6-14(19)17(20)21-9-11/h4-9H,2-3H2,1H3
InChIKeyORNKJPZBLXPCLP-UHFFFAOYSA-N
MW378.21 g/mol
LogP4.67
Rot. Bonds4

About (2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate

(2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate (PubChem CID 7750795) has the molecular formula C18H13Cl2NO4 and a molecular weight of 378.21 g/mol. Its IUPAC name is (2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate.

Molecular Properties

Compound Name(2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate
PubChem CID7750795
Molecular FormulaC18H13Cl2NO4
Molecular Weight378.21 g/mol
Exact Mass377.02
IUPAC Name(2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate
SMILESCCCc1cc(=O)oc2cc(OC(=O)c3cnc(Cl)c(Cl)c3)ccc12
InChIInChI=1S/C18H13Cl2NO4/c1-2-3-10-7-16(22)25-15-8-12(4-5-13(10)15)24-18(23)11-6-14(19)17(20)21-9-11/h4-9H,2-3H2,1H3
InChIKeyORNKJPZBLXPCLP-UHFFFAOYSA-N
XLogP4.67
TPSA69.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.21
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'cumarine', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

(2-oxo-4-propylchromen-7-yl) 2-chlorobenzoate
CID 2730629
(4-ethyl-2-oxochromen-7-yl) 3,4-dichlorobenzoate
CID 7925911
(2-oxo-4-propylchromen-7-yl) 4-fluorobenzoate
CID 7923721
(4-ethyl-2-oxochromen-7-yl) 6-methylpyridine-3-carboxylate
CID 18149004
(2-oxo-4-propylchromen-7-yl) (E)-3-(4-chlorophenyl)prop-2-enoate
CID 7923726
7-[2-(2,4-dichlorophenyl)-2-oxoethoxy]-4-propylchromen-2-one
CID 23827898
(6-chloro-7-methyl-2-oxochromen-4-yl)methyl 5,6-dichloropyridine-3-carboxylate
CID 8021608
(4-ethyl-2-oxochromen-7-yl) 3,5-difluorobenzoate
CID 8879773
(4-ethyl-2-oxochromen-7-yl) pyrazine-2-carboxylate
CID 18077800
7-(3-oxobutan-2-yloxy)-4-propylchromen-2-one
CID 3729942
7-[(2S)-3-oxobutan-2-yl]oxy-4-propylchromen-2-one
CID 701574
7-(6-chloro-2-methylpyrimidin-4-yl)oxy-4-propylchromen-2-one
CID 133280797

Frequently Asked Questions

What is the IUPAC name of (2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate?
The IUPAC name of (2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate (CID 7750795) is (2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate.
What is the SMILES notation for (2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate?
The canonical SMILES for (2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate is CCCc1cc(=O)oc2cc(OC(=O)c3cnc(Cl)c(Cl)c3)ccc12.
What is the InChIKey of (2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate?
The InChIKey is ORNKJPZBLXPCLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl2NO4/c1-2-3-10-7-16(22)25-15-8-12(4-5-13(10)15)24-18(23)11-6-14(19)17(20)21-9-11/h4-9H,2-3H2,1H3.
What are the key properties of (2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate?
(2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate has a molecular weight of 378.21 g/mol, XLogP of 4.67, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-4-propylchromen-7-yl) 5,6-dichloropyridine-3-carboxylate is sourced from PubChem (CID 7750795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).