carboxy(pyridin-2-yl)carbamic acid

C7H6N2O4 — CID 21257264

IUPACcarboxy(pyridin-2-yl)carbamic acid
SMILESO=C(O)N(C(=O)O)c1ccccn1
InChIInChI=1S/C7H6N2O4/c10-6(11)9(7(12)13)5-3-1-2-4-8-5/h1-4H,(H,10,11)(H,12,13)
InChIKeyAOJCDCHQEQTQIB-UHFFFAOYSA-N
MW182.14 g/mol
LogP1.24
Rot. Bonds1

About carboxy(pyridin-2-yl)carbamic acid

carboxy(pyridin-2-yl)carbamic acid (PubChem CID 21257264) has the molecular formula C7H6N2O4 and a molecular weight of 182.14 g/mol. Its IUPAC name is carboxy(pyridin-2-yl)carbamic acid.

Molecular Properties

Compound Namecarboxy(pyridin-2-yl)carbamic acid
PubChem CID21257264
Molecular FormulaC7H6N2O4
Molecular Weight182.14 g/mol
Exact Mass182.03
IUPAC Namecarboxy(pyridin-2-yl)carbamic acid
SMILESO=C(O)N(C(=O)O)c1ccccn1
InChIInChI=1S/C7H6N2O4/c10-6(11)9(7(12)13)5-3-1-2-4-8-5/h1-4H,(H,10,11)(H,12,13)
InChIKeyAOJCDCHQEQTQIB-UHFFFAOYSA-N
XLogP1.24
TPSA90.73 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.14
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of carboxy(pyridin-2-yl)carbamic acid?
The IUPAC name of carboxy(pyridin-2-yl)carbamic acid (CID 21257264) is carboxy(pyridin-2-yl)carbamic acid.
What is the SMILES notation for carboxy(pyridin-2-yl)carbamic acid?
The canonical SMILES for carboxy(pyridin-2-yl)carbamic acid is O=C(O)N(C(=O)O)c1ccccn1.
What is the InChIKey of carboxy(pyridin-2-yl)carbamic acid?
The InChIKey is AOJCDCHQEQTQIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O4/c10-6(11)9(7(12)13)5-3-1-2-4-8-5/h1-4H,(H,10,11)(H,12,13).
What are the key properties of carboxy(pyridin-2-yl)carbamic acid?
carboxy(pyridin-2-yl)carbamic acid has a molecular weight of 182.14 g/mol, XLogP of 1.24, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for carboxy(pyridin-2-yl)carbamic acid is sourced from PubChem (CID 21257264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).