7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid

C15H10ClFN2O3 — CID 143636049

IUPAC7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid
SMILESCc1ccc(Nc2c(C(=O)O)oc3c(Cl)cncc23)c(F)c1
InChIInChI=1S/C15H10ClFN2O3/c1-7-2-3-11(10(17)4-7)19-12-8-5-18-6-9(16)13(8)22-14(12)15(20)21/h2-6,19H,1H3,(H,20,21)
InChIKeyRXMJUQHCPPYWKR-UHFFFAOYSA-N
MW320.71 g/mol
LogP4.37
Rot. Bonds3

About 7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid

7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid (PubChem CID 143636049) has the molecular formula C15H10ClFN2O3 and a molecular weight of 320.71 g/mol. Its IUPAC name is 7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid
PubChem CID143636049
Molecular FormulaC15H10ClFN2O3
Molecular Weight320.71 g/mol
Exact Mass320.04
IUPAC Name7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid
SMILESCc1ccc(Nc2c(C(=O)O)oc3c(Cl)cncc23)c(F)c1
InChIInChI=1S/C15H10ClFN2O3/c1-7-2-3-11(10(17)4-7)19-12-8-5-18-6-9(16)13(8)22-14(12)15(20)21/h2-6,19H,1H3,(H,20,21)
InChIKeyRXMJUQHCPPYWKR-UHFFFAOYSA-N
XLogP4.37
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.71
LogP ≤ 54.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

7-chloro-3-(2-fluoro-4-methylanilino)-N-[3-(2-hydroxypropan-2-yloxy)propoxy]furo[3,2-c]pyridine-2-carboxamide
CID 143636089
ethane;ethyl 3-(2-fluoro-4-methylanilino)-7-methylfuro[3,2-c]pyridine-2-carboxylate
CID 143636271
ethyl 7-chloro-3-(2-fluoro-4-methylanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylate
CID 143686841
ethyl 3-(2-fluoro-4-methylanilino)-2-(3-hydroxypropoxycarbamoyl)furo[3,2-c]pyridine-7-carboxylate
CID 143636044
ethyl 7-fluoro-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704563
ethyl 7-fluoro-3-(2-fluoro-4-trimethylsilylanilino)furo[3,2-c]pyridine-2-carboxylate
CID 59704610
7-chloro-3-(2-fluoro-4-iodoanilino)-N-[(3S)-pyrrolidin-3-yl]oxyfuro[3,2-c]pyridine-2-carboxamide
CID 59704746
ethyl 3-(2-fluoro-4-iodoanilino)-7-phenylfuro[3,2-c]pyridine-2-carboxylate
CID 59704680
5-chloro-2-(2-fluoro-4-methylanilino)pyridine-4-carboxylic acid
CID 114919175
[3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridin-2-yl]-(1-oxo-1,4-thiazinan-4-yl)methanone
CID 143636066
ethane;3-(2-fluoro-4-methylanilino)-N-(2-hydroxyethyl)furo[3,2-c]pyridine-2-carboxamide
CID 143636022
ethyl 7-fluoro-3-(2-fluoro-4-methylanilino)thieno[3,2-c]pyridine-2-carboxylate
CID 143635942

Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid?
The IUPAC name of 7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid (CID 143636049) is 7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid.
What is the SMILES notation for 7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid?
The canonical SMILES for 7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid is Cc1ccc(Nc2c(C(=O)O)oc3c(Cl)cncc23)c(F)c1.
What is the InChIKey of 7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid?
The InChIKey is RXMJUQHCPPYWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFN2O3/c1-7-2-3-11(10(17)4-7)19-12-8-5-18-6-9(16)13(8)22-14(12)15(20)21/h2-6,19H,1H3,(H,20,21).
What are the key properties of 7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid?
7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid has a molecular weight of 320.71 g/mol, XLogP of 4.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(2-fluoro-4-methylanilino)furo[3,2-c]pyridine-2-carboxylic acid is sourced from PubChem (CID 143636049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).