1-[6-bromo-3-(hydroxymethyl)-2,2-dimethylchromen-4-yl]pyridin-2-one

C17H16BrNO3 — CID 19387264

IUPAC1-[6-bromo-3-(hydroxymethyl)-2,2-dimethylchromen-4-yl]pyridin-2-one
SMILESCC1(C)Oc2ccc(Br)cc2C(n2ccccc2=O)=C1CO
InChIInChI=1S/C17H16BrNO3/c1-17(2)13(10-20)16(19-8-4-3-5-15(19)21)12-9-11(18)6-7-14(12)22-17/h3-9,20H,10H2,1-2H3
InChIKeyYNWZYPZBXZTMAY-UHFFFAOYSA-N
MW362.22 g/mol
LogP3.03
Rot. Bonds2

About 1-[6-bromo-3-(hydroxymethyl)-2,2-dimethylchromen-4-yl]pyridin-2-one

1-[6-bromo-3-(hydroxymethyl)-2,2-dimethylchromen-4-yl]pyridin-2-one (PubChem CID 19387264) has the molecular formula C17H16BrNO3 and a molecular weight of 362.22 g/mol. Its IUPAC name is 1-[6-bromo-3-(hydroxymethyl)-2,2-dimethylchromen-4-yl]pyridin-2-one.

Molecular Properties

Compound Name1-[6-bromo-3-(hydroxymethyl)-2,2-dimethylchromen-4-yl]pyridin-2-one
PubChem CID19387264
Molecular FormulaC17H16BrNO3
Molecular Weight362.22 g/mol
Exact Mass361.03
IUPAC Name1-[6-bromo-3-(hydroxymethyl)-2,2-dimethylchromen-4-yl]pyridin-2-one
SMILESCC1(C)Oc2ccc(Br)cc2C(n2ccccc2=O)=C1CO
InChIInChI=1S/C17H16BrNO3/c1-17(2)13(10-20)16(19-8-4-3-5-15(19)21)12-9-11(18)6-7-14(12)22-17/h3-9,20H,10H2,1-2H3
InChIKeyYNWZYPZBXZTMAY-UHFFFAOYSA-N
XLogP3.03
TPSA51.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.22
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(hydroxymethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromen-6-yl]acetamide
CID 19880340
1-[6-bromo-2-(methoxymethyl)-2,3-dimethylchromen-4-yl]pyridin-2-one
CID 19888514
1-[3-[[hydroxy(methyl)amino]methyl]-2,2-dimethyl-6-nitrochromen-4-yl]pyridin-2-one
CID 19387039
2,2-dimethyl-3-(methylaminomethyl)-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile
CID 15228743
1-[3-[[hydroxy(methyl)amino]methyl]-2,2-dimethyl-6-(1,1,2,2,2-pentafluoroethyl)chromen-4-yl]pyridin-2-one
CID 19386931
N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]-N-hydroxyformamide
CID 19387024
3-[[ethyl(hydroxy)amino]methyl]-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile
CID 19386937
N-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]acetamide
CID 19386875
3-(diethylaminomethyl)-2,2-dimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carbonitrile
CID 15228746
1-[[2,2-dimethyl-6-nitro-4-(2-oxo-1-pyridinyl)chromen-3-yl]methyl]-3-ethylurea
CID 19386977
methyl N-[[2,2-dimethyl-4-(2-oxo-1-pyridinyl)-6-(1,1,2,2,2-pentafluoroethyl)chromen-3-yl]methyl]carbamate
CID 19387224
2,2,3-trimethyl-4-(2-oxo-1-pyridinyl)chromene-6-carboxamide
CID 14518004

Frequently Asked Questions

What is the IUPAC name of 1-[6-bromo-3-(hydroxymethyl)-2,2-dimethylchromen-4-yl]pyridin-2-one?
The IUPAC name of 1-[6-bromo-3-(hydroxymethyl)-2,2-dimethylchromen-4-yl]pyridin-2-one (CID 19387264) is 1-[6-bromo-3-(hydroxymethyl)-2,2-dimethylchromen-4-yl]pyridin-2-one.
What is the SMILES notation for 1-[6-bromo-3-(hydroxymethyl)-2,2-dimethylchromen-4-yl]pyridin-2-one?
The canonical SMILES for 1-[6-bromo-3-(hydroxymethyl)-2,2-dimethylchromen-4-yl]pyridin-2-one is CC1(C)Oc2ccc(Br)cc2C(n2ccccc2=O)=C1CO.
What is the InChIKey of 1-[6-bromo-3-(hydroxymethyl)-2,2-dimethylchromen-4-yl]pyridin-2-one?
The InChIKey is YNWZYPZBXZTMAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrNO3/c1-17(2)13(10-20)16(19-8-4-3-5-15(19)21)12-9-11(18)6-7-14(12)22-17/h3-9,20H,10H2,1-2H3.
What are the key properties of 1-[6-bromo-3-(hydroxymethyl)-2,2-dimethylchromen-4-yl]pyridin-2-one?
1-[6-bromo-3-(hydroxymethyl)-2,2-dimethylchromen-4-yl]pyridin-2-one has a molecular weight of 362.22 g/mol, XLogP of 3.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-bromo-3-(hydroxymethyl)-2,2-dimethylchromen-4-yl]pyridin-2-one is sourced from PubChem (CID 19387264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).