5-(2-fluoro-N-methylanilino)furan-2-carboxylic acid

C12H10FNO3 — CID 62204975

IUPAC5-(2-fluoro-N-methylanilino)furan-2-carboxylic acid
SMILESCN(c1ccc(C(=O)O)o1)c1ccccc1F
InChIInChI=1S/C12H10FNO3/c1-14(9-5-3-2-4-8(9)13)11-7-6-10(17-11)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeySMSXQJXXJOEQNK-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.88
Rot. Bonds3

About 5-(2-fluoro-N-methylanilino)furan-2-carboxylic acid

5-(2-fluoro-N-methylanilino)furan-2-carboxylic acid (PubChem CID 62204975) has the molecular formula C12H10FNO3 and a molecular weight of 235.21 g/mol. Its IUPAC name is 5-(2-fluoro-N-methylanilino)furan-2-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoro-N-methylanilino)furan-2-carboxylic acid
PubChem CID62204975
Molecular FormulaC12H10FNO3
Molecular Weight235.21 g/mol
Exact Mass235.06
IUPAC Name5-(2-fluoro-N-methylanilino)furan-2-carboxylic acid
SMILESCN(c1ccc(C(=O)O)o1)c1ccccc1F
InChIInChI=1S/C12H10FNO3/c1-14(9-5-3-2-4-8(9)13)11-7-6-10(17-11)12(15)16/h2-7H,1H3,(H,15,16)
InChIKeySMSXQJXXJOEQNK-UHFFFAOYSA-N
XLogP2.88
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-N-methylanilino)furan-2-carboxylic acid?
The IUPAC name of 5-(2-fluoro-N-methylanilino)furan-2-carboxylic acid (CID 62204975) is 5-(2-fluoro-N-methylanilino)furan-2-carboxylic acid.
What is the SMILES notation for 5-(2-fluoro-N-methylanilino)furan-2-carboxylic acid?
The canonical SMILES for 5-(2-fluoro-N-methylanilino)furan-2-carboxylic acid is CN(c1ccc(C(=O)O)o1)c1ccccc1F.
What is the InChIKey of 5-(2-fluoro-N-methylanilino)furan-2-carboxylic acid?
The InChIKey is SMSXQJXXJOEQNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO3/c1-14(9-5-3-2-4-8(9)13)11-7-6-10(17-11)12(15)16/h2-7H,1H3,(H,15,16).
What are the key properties of 5-(2-fluoro-N-methylanilino)furan-2-carboxylic acid?
5-(2-fluoro-N-methylanilino)furan-2-carboxylic acid has a molecular weight of 235.21 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-N-methylanilino)furan-2-carboxylic acid is sourced from PubChem (CID 62204975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).