3-amino-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-5-carboxylic acid

C15H10ClN3O4 — CID 23062593

IUPAC3-amino-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-5-carboxylic acid
SMILESNc1c(C(=O)Nc2ccc(Cl)cn2)oc2ccc(C(=O)O)cc12
InChIInChI=1S/C15H10ClN3O4/c16-8-2-4-11(18-6-8)19-14(20)13-12(17)9-5-7(15(21)22)1-3-10(9)23-13/h1-6H,17H2,(H,21,22)(H,18,19,20)
InChIKeyHOYRUMHPUDAXKX-UHFFFAOYSA-N
MW331.72 g/mol
LogP3.01
Rot. Bonds3

About 3-amino-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-5-carboxylic acid

3-amino-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-5-carboxylic acid (PubChem CID 23062593) has the molecular formula C15H10ClN3O4 and a molecular weight of 331.72 g/mol. Its IUPAC name is 3-amino-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-5-carboxylic acid.

Molecular Properties

Compound Name3-amino-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-5-carboxylic acid
PubChem CID23062593
Molecular FormulaC15H10ClN3O4
Molecular Weight331.72 g/mol
Exact Mass331.04
IUPAC Name3-amino-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-5-carboxylic acid
SMILESNc1c(C(=O)Nc2ccc(Cl)cn2)oc2ccc(C(=O)O)cc12
InChIInChI=1S/C15H10ClN3O4/c16-8-2-4-11(18-6-8)19-14(20)13-12(17)9-5-7(15(21)22)1-3-10(9)23-13/h1-6H,17H2,(H,21,22)(H,18,19,20)
InChIKeyHOYRUMHPUDAXKX-UHFFFAOYSA-N
XLogP3.01
TPSA118.45 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.72
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-5-carboxylic acid?
The IUPAC name of 3-amino-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-5-carboxylic acid (CID 23062593) is 3-amino-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-5-carboxylic acid.
What is the SMILES notation for 3-amino-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-5-carboxylic acid?
The canonical SMILES for 3-amino-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-5-carboxylic acid is Nc1c(C(=O)Nc2ccc(Cl)cn2)oc2ccc(C(=O)O)cc12.
What is the InChIKey of 3-amino-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-5-carboxylic acid?
The InChIKey is HOYRUMHPUDAXKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClN3O4/c16-8-2-4-11(18-6-8)19-14(20)13-12(17)9-5-7(15(21)22)1-3-10(9)23-13/h1-6H,17H2,(H,21,22)(H,18,19,20).
What are the key properties of 3-amino-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-5-carboxylic acid?
3-amino-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-5-carboxylic acid has a molecular weight of 331.72 g/mol, XLogP of 3.01, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-[(5-chloro-2-pyridinyl)carbamoyl]-1-benzofuran-5-carboxylic acid is sourced from PubChem (CID 23062593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).