5-chloro-2-methylfuran-3-carboxylic acid

C6H5ClO3 — CID 18938015

IUPAC5-chloro-2-methylfuran-3-carboxylic acid
SMILESCc1oc(Cl)cc1C(=O)O
InChIInChI=1S/C6H5ClO3/c1-3-4(6(8)9)2-5(7)10-3/h2H,1H3,(H,8,9)
InChIKeyUPPKWGHJPUGKKI-UHFFFAOYSA-N
MW160.56 g/mol
LogP1.94
Rot. Bonds1

About 5-chloro-2-methylfuran-3-carboxylic acid

5-chloro-2-methylfuran-3-carboxylic acid (PubChem CID 18938015) has the molecular formula C6H5ClO3 and a molecular weight of 160.56 g/mol. Its IUPAC name is 5-chloro-2-methylfuran-3-carboxylic acid.

Molecular Properties

Compound Name5-chloro-2-methylfuran-3-carboxylic acid
PubChem CID18938015
Molecular FormulaC6H5ClO3
Molecular Weight160.56 g/mol
Exact Mass159.99
IUPAC Name5-chloro-2-methylfuran-3-carboxylic acid
SMILESCc1oc(Cl)cc1C(=O)O
InChIInChI=1S/C6H5ClO3/c1-3-4(6(8)9)2-5(7)10-3/h2H,1H3,(H,8,9)
InChIKeyUPPKWGHJPUGKKI-UHFFFAOYSA-N
XLogP1.94
TPSA50.44 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.56
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(1S)-1-chloroethyl]-2-methylfuran-3-carboxylic acid
CID 97307974
2-(5-chloro-2-methylfuran-3-yl)acetic acid
CID 82653616
5-(2-chlorophenyl)-2-methylfuran-3-carboxylic acid
CID 4237243
2-methyl-5-(4-methylphenyl)furan-3-carboxylic acid
CID 2794742
2-methyl-5-(2-methylpropyl)furan-3-carboxylic acid
CID 844972
2-methyl-5-[(1R,2R,3R)-1,2,3,4-tetrahydroxybutyl]furan-3-carboxylic acid
CID 7129352
5-(dimethylsulfamoyl)-2-methylfuran-3-carboxylic acid
CID 2736868
2-methyl-5-(morpholin-4-ium-4-ylmethyl)furan-3-carboxylic acid
CID 5219059
4-chloro-5-methylfuran-2-carboxylic acid
CID 81446002
2,4-dichloro-5-methylbenzoic acid;ethane
CID 145266813
5-[(4-chlorophenyl)methylsulfanylmethyl]-2-methylfuran-3-carboxylic acid
CID 113222013
5-(4-aminophenyl)-2-methylfuran-3-carboxylic acid
CID 141180065

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methylfuran-3-carboxylic acid?
The IUPAC name of 5-chloro-2-methylfuran-3-carboxylic acid (CID 18938015) is 5-chloro-2-methylfuran-3-carboxylic acid.
What is the SMILES notation for 5-chloro-2-methylfuran-3-carboxylic acid?
The canonical SMILES for 5-chloro-2-methylfuran-3-carboxylic acid is Cc1oc(Cl)cc1C(=O)O.
What is the InChIKey of 5-chloro-2-methylfuran-3-carboxylic acid?
The InChIKey is UPPKWGHJPUGKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO3/c1-3-4(6(8)9)2-5(7)10-3/h2H,1H3,(H,8,9).
What are the key properties of 5-chloro-2-methylfuran-3-carboxylic acid?
5-chloro-2-methylfuran-3-carboxylic acid has a molecular weight of 160.56 g/mol, XLogP of 1.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methylfuran-3-carboxylic acid is sourced from PubChem (CID 18938015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).