3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate

C16H14ClFN2O3 — CID 118588829

IUPAC3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(F)cc1Cl)OC1CCOc2ncccc21
InChIInChI=1S/C16H14ClFN2O3/c17-13-8-11(18)4-3-10(13)9-20-16(21)23-14-5-7-22-15-12(14)2-1-6-19-15/h1-4,6,8,14H,5,7,9H2,(H,20,21)
InChIKeyVHCDXUDTSBOHAQ-UHFFFAOYSA-N
MW336.75 g/mol
LogP3.62
Rot. Bonds3

About 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate

3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate (PubChem CID 118588829) has the molecular formula C16H14ClFN2O3 and a molecular weight of 336.75 g/mol. Its IUPAC name is 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate.

Molecular Properties

Compound Name3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate
PubChem CID118588829
Molecular FormulaC16H14ClFN2O3
Molecular Weight336.75 g/mol
Exact Mass336.07
IUPAC Name3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate
SMILESO=C(NCc1ccc(F)cc1Cl)OC1CCOc2ncccc21
InChIInChI=1S/C16H14ClFN2O3/c17-13-8-11(18)4-3-10(13)9-20-16(21)23-14-5-7-22-15-12(14)2-1-6-19-15/h1-4,6,8,14H,5,7,9H2,(H,20,21)
InChIKeyVHCDXUDTSBOHAQ-UHFFFAOYSA-N
XLogP3.62
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.75
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate?
The IUPAC name of 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate (CID 118588829) is 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate.
What is the SMILES notation for 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate?
The canonical SMILES for 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate is O=C(NCc1ccc(F)cc1Cl)OC1CCOc2ncccc21.
What is the InChIKey of 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate?
The InChIKey is VHCDXUDTSBOHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClFN2O3/c17-13-8-11(18)4-3-10(13)9-20-16(21)23-14-5-7-22-15-12(14)2-1-6-19-15/h1-4,6,8,14H,5,7,9H2,(H,20,21).
What are the key properties of 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate?
3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate has a molecular weight of 336.75 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-2H-pyrano[2,3-b]pyridin-4-yl N-[(2-chloro-4-fluorophenyl)methyl]carbamate is sourced from PubChem (CID 118588829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).