N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-N-hydroxyformamide

C20H17F5N2O4 — CID 19387024

IUPACN-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-N-hydroxyformamide
SMILESCC1(C)Oc2ccc(C(F)(F)C(F)(F)F)cc2C(n2ccccc2=O)=C1CN(O)C=O
InChIInChI=1S/C20H17F5N2O4/c1-18(2)14(10-26(30)11-28)17(27-8-4-3-5-16(27)29)13-9-12(6-7-15(13)31-18)19(21,22)20(23,24)25/h3-9,11,30H,10H2,1-2H3
InChIKeyGVVZIWSBUCDXSC-UHFFFAOYSA-N
MW444.36 g/mol
LogP3.78
Rot. Bonds5

About N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-N-hydroxyformamide

N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-N-hydroxyformamide (PubChem CID 19387024) has the molecular formula C20H17F5N2O4 and a molecular weight of 444.36 g/mol. Its IUPAC name is N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-N-hydroxyformamide.

Molecular Properties

Compound NameN-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-N-hydroxyformamide
PubChem CID19387024
Molecular FormulaC20H17F5N2O4
Molecular Weight444.36 g/mol
Exact Mass444.11
IUPAC NameN-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-N-hydroxyformamide
SMILESCC1(C)Oc2ccc(C(F)(F)C(F)(F)F)cc2C(n2ccccc2=O)=C1CN(O)C=O
InChIInChI=1S/C20H17F5N2O4/c1-18(2)14(10-26(30)11-28)17(27-8-4-3-5-16(27)29)13-9-12(6-7-15(13)31-18)19(21,22)20(23,24)25/h3-9,11,30H,10H2,1-2H3
InChIKeyGVVZIWSBUCDXSC-UHFFFAOYSA-N
XLogP3.78
TPSA71.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.36
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-N-hydroxyformamide?
The IUPAC name of N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-N-hydroxyformamide (CID 19387024) is N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-N-hydroxyformamide.
What is the SMILES notation for N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-N-hydroxyformamide?
The canonical SMILES for N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-N-hydroxyformamide is CC1(C)Oc2ccc(C(F)(F)C(F)(F)F)cc2C(n2ccccc2=O)=C1CN(O)C=O.
What is the InChIKey of N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-N-hydroxyformamide?
The InChIKey is GVVZIWSBUCDXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F5N2O4/c1-18(2)14(10-26(30)11-28)17(27-8-4-3-5-16(27)29)13-9-12(6-7-15(13)31-18)19(21,22)20(23,24)25/h3-9,11,30H,10H2,1-2H3.
What are the key properties of N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-N-hydroxyformamide?
N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-N-hydroxyformamide has a molecular weight of 444.36 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-N-hydroxyformamide is sourced from PubChem (CID 19387024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).