carbamic acid;pyridine

C6H8N2O2 — CID 19014921

IUPACcarbamic acid;pyridine
SMILESNC(=O)O.c1ccncc1
InChIInChI=1S/C5H5N.CH3NO2/c1-2-4-6-5-3-1;2-1(3)4/h1-5H;2H2,(H,3,4)
InChIKeyZRVFBMJRSGKWEO-UHFFFAOYSA-N
MW140.14 g/mol
LogP0.70
Rot. Bonds

About carbamic acid;pyridine

carbamic acid;pyridine (PubChem CID 19014921) has the molecular formula C6H8N2O2 and a molecular weight of 140.14 g/mol. Its IUPAC name is carbamic acid;pyridine.

Molecular Properties

Compound Namecarbamic acid;pyridine
PubChem CID19014921
Molecular FormulaC6H8N2O2
Molecular Weight140.14 g/mol
Exact Mass140.06
IUPAC Namecarbamic acid;pyridine
SMILESNC(=O)O.c1ccncc1
InChIInChI=1S/C5H5N.CH3NO2/c1-2-4-6-5-3-1;2-1(3)4/h1-5H;2H2,(H,3,4)
InChIKeyZRVFBMJRSGKWEO-UHFFFAOYSA-N
XLogP0.70
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.14
LogP ≤ 50.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of carbamic acid;pyridine?
The IUPAC name of carbamic acid;pyridine (CID 19014921) is carbamic acid;pyridine.
What is the SMILES notation for carbamic acid;pyridine?
The canonical SMILES for carbamic acid;pyridine is NC(=O)O.c1ccncc1.
What is the InChIKey of carbamic acid;pyridine?
The InChIKey is ZRVFBMJRSGKWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.CH3NO2/c1-2-4-6-5-3-1;2-1(3)4/h1-5H;2H2,(H,3,4).
What are the key properties of carbamic acid;pyridine?
carbamic acid;pyridine has a molecular weight of 140.14 g/mol, XLogP of 0.70, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for carbamic acid;pyridine is sourced from PubChem (CID 19014921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).