(5-chlorofuro[2,3-c]pyridin-2-yl)-(2,6-difluoro-3-methoxy-5-methylphenyl)methanone

C16H10ClF2NO3 — CID 158212651

IUPAC(5-chlorofuro[2,3-c]pyridin-2-yl)-(2,6-difluoro-3-methoxy-5-methylphenyl)methanone
SMILESCOc1cc(C)c(F)c(C(=O)c2cc3cc(Cl)ncc3o2)c1F
InChIInChI=1S/C16H10ClF2NO3/c1-7-3-9(22-2)15(19)13(14(7)18)16(21)10-4-8-5-12(17)20-6-11(8)23-10/h3-6H,1-2H3
InChIKeyGCGNUWQXUFZQQM-UHFFFAOYSA-N
MW337.71 g/mol
LogP4.31
Rot. Bonds3

About (5-chlorofuro[2,3-c]pyridin-2-yl)-(2,6-difluoro-3-methoxy-5-methylphenyl)methanone

(5-chlorofuro[2,3-c]pyridin-2-yl)-(2,6-difluoro-3-methoxy-5-methylphenyl)methanone (PubChem CID 158212651) has the molecular formula C16H10ClF2NO3 and a molecular weight of 337.71 g/mol. Its IUPAC name is (5-chlorofuro[2,3-c]pyridin-2-yl)-(2,6-difluoro-3-methoxy-5-methylphenyl)methanone.

Molecular Properties

Compound Name(5-chlorofuro[2,3-c]pyridin-2-yl)-(2,6-difluoro-3-methoxy-5-methylphenyl)methanone
PubChem CID158212651
Molecular FormulaC16H10ClF2NO3
Molecular Weight337.71 g/mol
Exact Mass337.03
IUPAC Name(5-chlorofuro[2,3-c]pyridin-2-yl)-(2,6-difluoro-3-methoxy-5-methylphenyl)methanone
SMILESCOc1cc(C)c(F)c(C(=O)c2cc3cc(Cl)ncc3o2)c1F
InChIInChI=1S/C16H10ClF2NO3/c1-7-3-9(22-2)15(19)13(14(7)18)16(21)10-4-8-5-12(17)20-6-11(8)23-10/h3-6H,1-2H3
InChIKeyGCGNUWQXUFZQQM-UHFFFAOYSA-N
XLogP4.31
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.71
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5-chlorofuro[2,3-c]pyridin-2-yl)-(2,6-difluoro-3-methoxy-5-methylphenyl)methanone?
The IUPAC name of (5-chlorofuro[2,3-c]pyridin-2-yl)-(2,6-difluoro-3-methoxy-5-methylphenyl)methanone (CID 158212651) is (5-chlorofuro[2,3-c]pyridin-2-yl)-(2,6-difluoro-3-methoxy-5-methylphenyl)methanone.
What is the SMILES notation for (5-chlorofuro[2,3-c]pyridin-2-yl)-(2,6-difluoro-3-methoxy-5-methylphenyl)methanone?
The canonical SMILES for (5-chlorofuro[2,3-c]pyridin-2-yl)-(2,6-difluoro-3-methoxy-5-methylphenyl)methanone is COc1cc(C)c(F)c(C(=O)c2cc3cc(Cl)ncc3o2)c1F.
What is the InChIKey of (5-chlorofuro[2,3-c]pyridin-2-yl)-(2,6-difluoro-3-methoxy-5-methylphenyl)methanone?
The InChIKey is GCGNUWQXUFZQQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF2NO3/c1-7-3-9(22-2)15(19)13(14(7)18)16(21)10-4-8-5-12(17)20-6-11(8)23-10/h3-6H,1-2H3.
What are the key properties of (5-chlorofuro[2,3-c]pyridin-2-yl)-(2,6-difluoro-3-methoxy-5-methylphenyl)methanone?
(5-chlorofuro[2,3-c]pyridin-2-yl)-(2,6-difluoro-3-methoxy-5-methylphenyl)methanone has a molecular weight of 337.71 g/mol, XLogP of 4.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chlorofuro[2,3-c]pyridin-2-yl)-(2,6-difluoro-3-methoxy-5-methylphenyl)methanone is sourced from PubChem (CID 158212651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).