3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-methyl-1H-pyrimidine-2,4-dione

C11H9ClFN3O3 — CID 175628522

IUPAC3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(-c2nc(CO)c(Cl)cc2F)c(=O)[nH]1
InChIInChI=1S/C11H9ClFN3O3/c1-5-2-9(18)16(11(19)14-5)10-7(13)3-6(12)8(4-17)15-10/h2-3,17H,4H2,1H3,(H,14,19)
InChIKeyAZRHUUSOCAKNIT-UHFFFAOYSA-N
MW285.66 g/mol
LogP0.51
Rot. Bonds2

About 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-methyl-1H-pyrimidine-2,4-dione

3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-methyl-1H-pyrimidine-2,4-dione (PubChem CID 175628522) has the molecular formula C11H9ClFN3O3 and a molecular weight of 285.66 g/mol. Its IUPAC name is 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-methyl-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-methyl-1H-pyrimidine-2,4-dione
PubChem CID175628522
Molecular FormulaC11H9ClFN3O3
Molecular Weight285.66 g/mol
Exact Mass285.03
IUPAC Name3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-methyl-1H-pyrimidine-2,4-dione
SMILESCc1cc(=O)n(-c2nc(CO)c(Cl)cc2F)c(=O)[nH]1
InChIInChI=1S/C11H9ClFN3O3/c1-5-2-9(18)16(11(19)14-5)10-7(13)3-6(12)8(4-17)15-10/h2-3,17H,4H2,1H3,(H,14,19)
InChIKeyAZRHUUSOCAKNIT-UHFFFAOYSA-N
XLogP0.51
TPSA87.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.66
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-Chlorophenyl)-3-[6-(hydroxymethyl)-2-pyridinyl]urea
CID 100614324
3-[5-Chloro-6-(ethylperoxymethyl)-3-fluoro-2-pyridinyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 18717332
Carboxy-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]carbamic acid
CID 89906093
(6-Amino-3-chloro-5-fluoro-2-pyridinyl)methanol
CID 89906600
2-[5-Chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-4,5,6,7-tetrahydroisoindole-1,3-dione
CID 141967438
tert-butyl N-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 145669978
3-[5-Chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-1-methyl-6-(trifluoromethyl)pyrimidine-2,4-dione
CID 165401125
3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
CID 165401127
3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-2-hydroxy-1-methyl-6-(trifluoromethyl)-2H-pyrimidin-4-one
CID 166645962
(Z)-N-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-4,4,4-trifluoro-3-[formyl(methyl)amino]-N-methylbut-2-enamide
CID 166645963
3-[5-Chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-1,6-dimethylpyrimidine-2,4-dione
CID 175628526
[3-chloro-6-(N-ethyl-3-fluoroanilino)-2-pyridinyl]methanol
CID 61854739

Frequently Asked Questions

What is the IUPAC name of 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-methyl-1H-pyrimidine-2,4-dione?
The IUPAC name of 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-methyl-1H-pyrimidine-2,4-dione (CID 175628522) is 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-methyl-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-methyl-1H-pyrimidine-2,4-dione?
The canonical SMILES for 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-methyl-1H-pyrimidine-2,4-dione is Cc1cc(=O)n(-c2nc(CO)c(Cl)cc2F)c(=O)[nH]1.
What is the InChIKey of 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-methyl-1H-pyrimidine-2,4-dione?
The InChIKey is AZRHUUSOCAKNIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClFN3O3/c1-5-2-9(18)16(11(19)14-5)10-7(13)3-6(12)8(4-17)15-10/h2-3,17H,4H2,1H3,(H,14,19).
What are the key properties of 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-methyl-1H-pyrimidine-2,4-dione?
3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-methyl-1H-pyrimidine-2,4-dione has a molecular weight of 285.66 g/mol, XLogP of 0.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-chloro-3-fluoro-6-(hydroxymethyl)-2-pyridinyl]-6-methyl-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 175628522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).