5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxylic acid

C18H12BrF2NO5 — CID 22050576

IUPAC5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxylic acid
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccc(C(=O)O)o1
InChIInChI=1S/C18H12BrF2NO5/c1-9-6-14(26-8-10-2-3-11(20)7-12(10)21)16(19)17(23)22(9)15-5-4-13(27-15)18(24)25/h2-7H,8H2,1H3,(H,24,25)
InChIKeyMYZQFAIIDZIYGK-UHFFFAOYSA-N
MW440.20 g/mol
LogP4.06
Rot. Bonds5

About 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxylic acid

5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxylic acid (PubChem CID 22050576) has the molecular formula C18H12BrF2NO5 and a molecular weight of 440.20 g/mol. Its IUPAC name is 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxylic acid.

Molecular Properties

Compound Name5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxylic acid
PubChem CID22050576
Molecular FormulaC18H12BrF2NO5
Molecular Weight440.20 g/mol
Exact Mass438.99
IUPAC Name5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxylic acid
SMILESCc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccc(C(=O)O)o1
InChIInChI=1S/C18H12BrF2NO5/c1-9-6-14(26-8-10-2-3-11(20)7-12(10)21)16(19)17(23)22(9)15-5-4-13(27-15)18(24)25/h2-7H,8H2,1H3,(H,24,25)
InChIKeyMYZQFAIIDZIYGK-UHFFFAOYSA-N
XLogP4.06
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.20
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

methyl 5-[3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl]-2-furoate
CID 22049896
5-[3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl]-2-furamide
CID 22049901
5-{[3-bromo-4-[(2,4-difluorobenzyl)oxy]-6-methyl-2-oxopyridin-1(2H)-yl]methyl}-2-furoic acid
CID 22050159
5-[(3,4-Difluorophenyl)methyl]-7-methyl-6-oxofuro[2,3-b]pyridine-2-carboxylic acid
CID 22320625
5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]-N-(2-hydroxyethyl)furan-2-carboxamide
CID 60027366
3-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[5-(morpholine-4-carbonyl)furan-2-yl]pyridin-2-one
CID 60027384
3-Bromo-4-[(2,4-difluorophenyl)methoxy]-1-[5-(hydroxymethyl)furan-2-yl]-6-methylpyridin-2-one
CID 60027440
[5-[3-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-yl]methyl carbamate
CID 60027448
3-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-1-[5-(piperidine-1-carbonyl)furan-2-yl]pyridin-2-one
CID 60027505
methyl N-[5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-yl]carbamate
CID 91594704
5-[[(2Z,4Z)-5-bromo-4-[(2,4-difluorophenyl)methoxy]hexa-2,4-dien-2-yl]-formylamino]furan-2-carboxamide
CID 143008383
5-[[3-Bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]methyl]-3-methylfuran-2-carboxylic acid
CID 176084974

Frequently Asked Questions

What is the IUPAC name of 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxylic acid?
The IUPAC name of 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxylic acid (CID 22050576) is 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxylic acid.
What is the SMILES notation for 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxylic acid?
The canonical SMILES for 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxylic acid is Cc1cc(OCc2ccc(F)cc2F)c(Br)c(=O)n1-c1ccc(C(=O)O)o1.
What is the InChIKey of 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxylic acid?
The InChIKey is MYZQFAIIDZIYGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrF2NO5/c1-9-6-14(26-8-10-2-3-11(20)7-12(10)21)16(19)17(23)22(9)15-5-4-13(27-15)18(24)25/h2-7H,8H2,1H3,(H,24,25).
What are the key properties of 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxylic acid?
5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxylic acid has a molecular weight of 440.20 g/mol, XLogP of 4.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-bromo-4-[(2,4-difluorophenyl)methoxy]-6-methyl-2-oxo-1-pyridinyl]furan-2-carboxylic acid is sourced from PubChem (CID 22050576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).