1-formamidonaphthalene-2-carboxylic acid

C12H9NO3 — CID 174958929

IUPAC1-formamidonaphthalene-2-carboxylic acid
SMILESO=CNc1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C12H9NO3/c14-7-13-11-9-4-2-1-3-8(9)5-6-10(11)12(15)16/h1-7H,(H,13,14)(H,15,16)
InChIKeyBKDNPBFEVSEOOJ-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.11
Rot. Bonds3

About 1-formamidonaphthalene-2-carboxylic acid

1-formamidonaphthalene-2-carboxylic acid (PubChem CID 174958929) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 1-formamidonaphthalene-2-carboxylic acid.

Molecular Properties

Compound Name1-formamidonaphthalene-2-carboxylic acid
PubChem CID174958929
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name1-formamidonaphthalene-2-carboxylic acid
SMILESO=CNc1c(C(=O)O)ccc2ccccc12
InChIInChI=1S/C12H9NO3/c14-7-13-11-9-4-2-1-3-8(9)5-6-10(11)12(15)16/h1-7H,(H,13,14)(H,15,16)
InChIKeyBKDNPBFEVSEOOJ-UHFFFAOYSA-N
XLogP2.11
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-formamidonaphthalene-2-carboxylic acid?
The IUPAC name of 1-formamidonaphthalene-2-carboxylic acid (CID 174958929) is 1-formamidonaphthalene-2-carboxylic acid.
What is the SMILES notation for 1-formamidonaphthalene-2-carboxylic acid?
The canonical SMILES for 1-formamidonaphthalene-2-carboxylic acid is O=CNc1c(C(=O)O)ccc2ccccc12.
What is the InChIKey of 1-formamidonaphthalene-2-carboxylic acid?
The InChIKey is BKDNPBFEVSEOOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c14-7-13-11-9-4-2-1-3-8(9)5-6-10(11)12(15)16/h1-7H,(H,13,14)(H,15,16).
What are the key properties of 1-formamidonaphthalene-2-carboxylic acid?
1-formamidonaphthalene-2-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 2.11, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-formamidonaphthalene-2-carboxylic acid is sourced from PubChem (CID 174958929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).