4-chloro-5-methoxyfuran-2-carboxylic acid

C6H5ClO4 — CID 97035111

IUPAC4-chloro-5-methoxyfuran-2-carboxylic acid
SMILESCOc1oc(C(=O)O)cc1Cl
InChIInChI=1S/C6H5ClO4/c1-10-6-3(7)2-4(11-6)5(8)9/h2H,1H3,(H,8,9)
InChIKeyPEMUSAMYAXBJSV-UHFFFAOYSA-N
MW176.55 g/mol
LogP1.64
Rot. Bonds2

About 4-chloro-5-methoxyfuran-2-carboxylic acid

4-chloro-5-methoxyfuran-2-carboxylic acid (PubChem CID 97035111) has the molecular formula C6H5ClO4 and a molecular weight of 176.55 g/mol. Its IUPAC name is 4-chloro-5-methoxyfuran-2-carboxylic acid.

Molecular Properties

Compound Name4-chloro-5-methoxyfuran-2-carboxylic acid
PubChem CID97035111
Molecular FormulaC6H5ClO4
Molecular Weight176.55 g/mol
Exact Mass175.99
IUPAC Name4-chloro-5-methoxyfuran-2-carboxylic acid
SMILESCOc1oc(C(=O)O)cc1Cl
InChIInChI=1S/C6H5ClO4/c1-10-6-3(7)2-4(11-6)5(8)9/h2H,1H3,(H,8,9)
InChIKeyPEMUSAMYAXBJSV-UHFFFAOYSA-N
XLogP1.64
TPSA59.67 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.55
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-5-methoxyfuran-2-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-chloro-5-methylfuran-2-carboxylic acid
CID 81446002
5-chloro-7-methoxy-1-benzofuran-2-carboxylic acid
CID 2060035
4-chloro-5-(diethylamino)furan-2-carboxylic acid
CID 83887850
4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-methylfuran-2-carboxylic acid
CID 174451104
6-chloro-5-methyl-1-benzofuran-2-carboxylic acid
CID 130064962
5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid
CID 62206911
4,6-dichloro-1-benzofuran-2-carboxylic acid
CID 139957511
4-methoxycarbonyl-5-methylfuran-2-carboxylic acid
CID 55212082
5-(3-chloro-4-methylphenyl)furan-2-carboxylic acid
CID 921170
4-methoxy-6-methyl-1-benzofuran-2-carboxylic acid
CID 84673879
5-(methoxymethyl)-4-methylfuran-2-carboxylic acid
CID 146256731
4-[(5-chloro-2,4-dimethoxyphenyl)carbamoylamino]-5-(difluoromethyl)furan-2-carboxylic acid
CID 175239371

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-methoxyfuran-2-carboxylic acid?
The IUPAC name of 4-chloro-5-methoxyfuran-2-carboxylic acid (CID 97035111) is 4-chloro-5-methoxyfuran-2-carboxylic acid.
What is the SMILES notation for 4-chloro-5-methoxyfuran-2-carboxylic acid?
The canonical SMILES for 4-chloro-5-methoxyfuran-2-carboxylic acid is COc1oc(C(=O)O)cc1Cl.
What is the InChIKey of 4-chloro-5-methoxyfuran-2-carboxylic acid?
The InChIKey is PEMUSAMYAXBJSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClO4/c1-10-6-3(7)2-4(11-6)5(8)9/h2H,1H3,(H,8,9).
What are the key properties of 4-chloro-5-methoxyfuran-2-carboxylic acid?
4-chloro-5-methoxyfuran-2-carboxylic acid has a molecular weight of 176.55 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-methoxyfuran-2-carboxylic acid is sourced from PubChem (CID 97035111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).