6-[2-(aminomethyl)-7-methoxy-1-benzofuran-5-yl]pyridine-3-carboxylic acid

C16H14N2O4 — CID 139451998

IUPAC6-[2-(aminomethyl)-7-methoxy-1-benzofuran-5-yl]pyridine-3-carboxylic acid
SMILESCOc1cc(-c2ccc(C(=O)O)cn2)cc2cc(CN)oc12
InChIInChI=1S/C16H14N2O4/c1-21-14-6-10(4-11-5-12(7-17)22-15(11)14)13-3-2-9(8-18-13)16(19)20/h2-6,8H,7,17H2,1H3,(H,19,20)
InChIKeyLSGWJRWAESLNIW-UHFFFAOYSA-N
MW298.30 g/mol
LogP2.66
Rot. Bonds4

About 6-[2-(aminomethyl)-7-methoxy-1-benzofuran-5-yl]pyridine-3-carboxylic acid

6-[2-(aminomethyl)-7-methoxy-1-benzofuran-5-yl]pyridine-3-carboxylic acid (PubChem CID 139451998) has the molecular formula C16H14N2O4 and a molecular weight of 298.30 g/mol. Its IUPAC name is 6-[2-(aminomethyl)-7-methoxy-1-benzofuran-5-yl]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[2-(aminomethyl)-7-methoxy-1-benzofuran-5-yl]pyridine-3-carboxylic acid
PubChem CID139451998
Molecular FormulaC16H14N2O4
Molecular Weight298.30 g/mol
Exact Mass298.10
IUPAC Name6-[2-(aminomethyl)-7-methoxy-1-benzofuran-5-yl]pyridine-3-carboxylic acid
SMILESCOc1cc(-c2ccc(C(=O)O)cn2)cc2cc(CN)oc12
InChIInChI=1S/C16H14N2O4/c1-21-14-6-10(4-11-5-12(7-17)22-15(11)14)13-3-2-9(8-18-13)16(19)20/h2-6,8H,7,17H2,1H3,(H,19,20)
InChIKeyLSGWJRWAESLNIW-UHFFFAOYSA-N
XLogP2.66
TPSA98.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.30
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[5-pyridin-2-yl-7-(tritiomethoxy)-1-benzofuran-2-yl]methanamine
CID 175226765
[6-[2-(aminomethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]-3-pyridinyl]-(3-methylpyrrolidin-1-yl)methanone;ethane
CID 144770591
(E)-1-(6-amino-3-pyridinyl)-5-[7-methoxy-5-[5-(piperazine-1-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]pent-1-en-3-one;6-[2-[(E)-5-(6-amino-3-pyridinyl)-3-oxopent-4-enyl]-7-methoxy-1-benzofuran-5-yl]pyridine-3-carboxylic acid;tert-butyl piperazine-1-carboxylate;methane
CID 158595367
3-(6-amino-3-pyridinyl)-N-[[7-methoxy-5-[5-(morpholine-4-carbonyl)-2-pyridinyl]-1-benzofuran-2-yl]methyl]propanamide
CID 123870429
6-[2-(formamidomethyl)-7-(trifluoromethyl)-1-benzofuran-5-yl]pyridine-3-carboxylic acid
CID 144770868
6-(3,5-dichlorophenyl)pyridine-3-carboxylic acid
CID 24729990
6-(2-methyl-4-pyridinyl)pyridine-3-carboxylic acid
CID 131619918
6-(3-methoxycarbonylphenyl)pyridine-3-carboxylic acid
CID 53223675
6-(methoxymethyl)pyridine-3-carboxylic acid;sulfur monoxide
CID 158651359
3-(5-methoxy-2-pyridinyl)-5-methylbenzoic acid
CID 114280879
(4,4-difluoropiperidin-1-yl)-[4-(2-ethyl-7-methoxy-1-benzofuran-5-yl)phenyl]methanone
CID 159341232
bis(6-(3-carboxy-4-methylphenyl)pyridine-3-carboxylic acid);cobalt
CID 176549318

Frequently Asked Questions

What is the IUPAC name of 6-[2-(aminomethyl)-7-methoxy-1-benzofuran-5-yl]pyridine-3-carboxylic acid?
The IUPAC name of 6-[2-(aminomethyl)-7-methoxy-1-benzofuran-5-yl]pyridine-3-carboxylic acid (CID 139451998) is 6-[2-(aminomethyl)-7-methoxy-1-benzofuran-5-yl]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[2-(aminomethyl)-7-methoxy-1-benzofuran-5-yl]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[2-(aminomethyl)-7-methoxy-1-benzofuran-5-yl]pyridine-3-carboxylic acid is COc1cc(-c2ccc(C(=O)O)cn2)cc2cc(CN)oc12.
What is the InChIKey of 6-[2-(aminomethyl)-7-methoxy-1-benzofuran-5-yl]pyridine-3-carboxylic acid?
The InChIKey is LSGWJRWAESLNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4/c1-21-14-6-10(4-11-5-12(7-17)22-15(11)14)13-3-2-9(8-18-13)16(19)20/h2-6,8H,7,17H2,1H3,(H,19,20).
What are the key properties of 6-[2-(aminomethyl)-7-methoxy-1-benzofuran-5-yl]pyridine-3-carboxylic acid?
6-[2-(aminomethyl)-7-methoxy-1-benzofuran-5-yl]pyridine-3-carboxylic acid has a molecular weight of 298.30 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(aminomethyl)-7-methoxy-1-benzofuran-5-yl]pyridine-3-carboxylic acid is sourced from PubChem (CID 139451998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).