5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid

C12H10ClNO4 — CID 62206911

IUPAC5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid
SMILESCOc1ccc(Cl)c(Nc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C12H10ClNO4/c1-17-7-2-3-8(13)9(6-7)14-11-5-4-10(18-11)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyJCESPXBNPNBBJV-UHFFFAOYSA-N
MW267.67 g/mol
LogP3.38
Rot. Bonds4

About 5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid

5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid (PubChem CID 62206911) has the molecular formula C12H10ClNO4 and a molecular weight of 267.67 g/mol. Its IUPAC name is 5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid
PubChem CID62206911
Molecular FormulaC12H10ClNO4
Molecular Weight267.67 g/mol
Exact Mass267.03
IUPAC Name5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid
SMILESCOc1ccc(Cl)c(Nc2ccc(C(=O)O)o2)c1
InChIInChI=1S/C12H10ClNO4/c1-17-7-2-3-8(13)9(6-7)14-11-5-4-10(18-11)12(15)16/h2-6,14H,1H3,(H,15,16)
InChIKeyJCESPXBNPNBBJV-UHFFFAOYSA-N
XLogP3.38
TPSA71.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.67
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(5-chloro-2-methoxyanilino)furan-2-carboxylic acid
CID 62204586
5-(2,4-dichloroanilino)furan-2-carboxylic acid
CID 62204584
5-chloro-2-(2-chloro-5-methoxyanilino)benzoic acid
CID 63539528
methyl 5-[1-(2-chloro-5-methoxyanilino)ethyl]furan-2-carboxylate
CID 103243613
5-(2-bromo-4-chloroanilino)furan-2-carboxylic acid
CID 81270530
5-(4-cyano-2-methoxyanilino)furan-2-carboxylic acid
CID 104849557
5-amino-6-(2-chloro-5-methoxyanilino)pyridine-2-carboxylic acid
CID 114406135
N-(2-chloro-5-methoxyphenyl)morpholine-4-carboxamide
CID 47421313
5-amino-6-(2-chloro-5-methoxyanilino)pyridine-3-carboxylic acid
CID 81440060
N-(2-chloro-5-methoxyphenyl)-2-propan-2-yloxyacetamide
CID 47423695
N-(2-chloro-5-methoxyphenyl)-2,2,3,3-tetrafluoropropanamide
CID 103733277
2-(2-chloro-5-methoxyanilino)pentanoic acid
CID 83040688

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid?
The IUPAC name of 5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid (CID 62206911) is 5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid is COc1ccc(Cl)c(Nc2ccc(C(=O)O)o2)c1.
What is the InChIKey of 5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid?
The InChIKey is JCESPXBNPNBBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO4/c1-17-7-2-3-8(13)9(6-7)14-11-5-4-10(18-11)12(15)16/h2-6,14H,1H3,(H,15,16).
What are the key properties of 5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid?
5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid has a molecular weight of 267.67 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methoxyanilino)furan-2-carboxylic acid is sourced from PubChem (CID 62206911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).