4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid

C15H14N2O3 — CID 62233203

IUPAC4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NCC2Cc3ccccc3O2)ccn1
InChIInChI=1S/C15H14N2O3/c18-15(19)13-8-11(5-6-16-13)17-9-12-7-10-3-1-2-4-14(10)20-12/h1-6,8,12H,7,9H2,(H,16,17)(H,18,19)
InChIKeyGNILFAKOSXSZTB-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.20
Rot. Bonds4

About 4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid

4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid (PubChem CID 62233203) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid
PubChem CID62233203
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NCC2Cc3ccccc3O2)ccn1
InChIInChI=1S/C15H14N2O3/c18-15(19)13-8-11(5-6-16-13)17-9-12-7-10-3-1-2-4-14(10)20-12/h1-6,8,12H,7,9H2,(H,16,17)(H,18,19)
InChIKeyGNILFAKOSXSZTB-UHFFFAOYSA-N
XLogP2.20
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)benzoic acid
CID 62233384
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)aniline
CID 54888631
4-amino-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)pyridine-2-carboxamide
CID 62232678
5-(2,3-dihydro-1-benzofuran-2-ylmethylamino)furan-2-carboxylic acid
CID 62233383
1-N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-4-N-phenylbenzene-1,4-diamine
CID 110179031
4-bromo-2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)benzoic acid
CID 114907271
6-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridazine-3-carboxamide
CID 79099790
2-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-6-fluorobenzoic acid
CID 79517954
3-(2,3-dihydro-1-benzofuran-2-ylmethylamino)-3-oxopropanoic acid
CID 62229922
2-bromo-4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)benzenecarbothioamide
CID 107277712
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-5-methylpyrimidin-2-amine
CID 63208579
N-(2,3-dihydro-1-benzofuran-2-ylmethyl)-2,2-diphenylacetamide
CID 71897392

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid (CID 62233203) is 4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid is O=C(O)c1cc(NCC2Cc3ccccc3O2)ccn1.
What is the InChIKey of 4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid?
The InChIKey is GNILFAKOSXSZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(19)13-8-11(5-6-16-13)17-9-12-7-10-3-1-2-4-14(10)20-12/h1-6,8,12H,7,9H2,(H,16,17)(H,18,19).
What are the key properties of 4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid?
4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1-benzofuran-2-ylmethylamino)pyridine-2-carboxylic acid is sourced from PubChem (CID 62233203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).