4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-6-yl)-5-fluoropyridine-2-carboxylic acid

C14H10ClFN2O3 — CID 90437830

IUPAC4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-6-yl)-5-fluoropyridine-2-carboxylic acid
SMILESNc1c(F)c(-c2ccc3c(c2)OCC3)nc(C(=O)O)c1Cl
InChIInChI=1S/C14H10ClFN2O3/c15-9-11(17)10(16)12(18-13(9)14(19)20)7-2-1-6-3-4-21-8(6)5-7/h1-2,5H,3-4H2,(H2,17,18)(H,19,20)
InChIKeyWHBLZHWHWNIHHP-UHFFFAOYSA-N
MW308.70 g/mol
LogP2.76
Rot. Bonds2

About 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-6-yl)-5-fluoropyridine-2-carboxylic acid

4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-6-yl)-5-fluoropyridine-2-carboxylic acid (PubChem CID 90437830) has the molecular formula C14H10ClFN2O3 and a molecular weight of 308.70 g/mol. Its IUPAC name is 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-6-yl)-5-fluoropyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-6-yl)-5-fluoropyridine-2-carboxylic acid
PubChem CID90437830
Molecular FormulaC14H10ClFN2O3
Molecular Weight308.70 g/mol
Exact Mass308.04
IUPAC Name4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-6-yl)-5-fluoropyridine-2-carboxylic acid
SMILESNc1c(F)c(-c2ccc3c(c2)OCC3)nc(C(=O)O)c1Cl
InChIInChI=1S/C14H10ClFN2O3/c15-9-11(17)10(16)12(18-13(9)14(19)20)7-2-1-6-3-4-21-8(6)5-7/h1-2,5H,3-4H2,(H2,17,18)(H,19,20)
InChIKeyWHBLZHWHWNIHHP-UHFFFAOYSA-N
XLogP2.76
TPSA85.44 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-6-yl)-5-fluoropyridine-2-carboxylic acid?
The IUPAC name of 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-6-yl)-5-fluoropyridine-2-carboxylic acid (CID 90437830) is 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-6-yl)-5-fluoropyridine-2-carboxylic acid.
What is the SMILES notation for 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-6-yl)-5-fluoropyridine-2-carboxylic acid?
The canonical SMILES for 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-6-yl)-5-fluoropyridine-2-carboxylic acid is Nc1c(F)c(-c2ccc3c(c2)OCC3)nc(C(=O)O)c1Cl.
What is the InChIKey of 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-6-yl)-5-fluoropyridine-2-carboxylic acid?
The InChIKey is WHBLZHWHWNIHHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O3/c15-9-11(17)10(16)12(18-13(9)14(19)20)7-2-1-6-3-4-21-8(6)5-7/h1-2,5H,3-4H2,(H2,17,18)(H,19,20).
What are the key properties of 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-6-yl)-5-fluoropyridine-2-carboxylic acid?
4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-6-yl)-5-fluoropyridine-2-carboxylic acid has a molecular weight of 308.70 g/mol, XLogP of 2.76, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-chloro-6-(2,3-dihydro-1-benzofuran-6-yl)-5-fluoropyridine-2-carboxylic acid is sourced from PubChem (CID 90437830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).