(6-formyl-3-pyridinyl) carbamate

C7H6N2O3 — CID 175352673

IUPAC(6-formyl-3-pyridinyl) carbamate
SMILESNC(=O)Oc1ccc(C=O)nc1
InChIInChI=1S/C7H6N2O3/c8-7(11)12-6-2-1-5(4-10)9-3-6/h1-4H,(H2,8,11)
InChIKeyFSZSSLNPDFRZBV-UHFFFAOYSA-N
MW166.14 g/mol
LogP0.35
Rot. Bonds2

About (6-formyl-3-pyridinyl) carbamate

(6-formyl-3-pyridinyl) carbamate (PubChem CID 175352673) has the molecular formula C7H6N2O3 and a molecular weight of 166.14 g/mol. Its IUPAC name is (6-formyl-3-pyridinyl) carbamate.

Molecular Properties

Compound Name(6-formyl-3-pyridinyl) carbamate
PubChem CID175352673
Molecular FormulaC7H6N2O3
Molecular Weight166.14 g/mol
Exact Mass166.04
IUPAC Name(6-formyl-3-pyridinyl) carbamate
SMILESNC(=O)Oc1ccc(C=O)nc1
InChIInChI=1S/C7H6N2O3/c8-7(11)12-6-2-1-5(4-10)9-3-6/h1-4H,(H2,8,11)
InChIKeyFSZSSLNPDFRZBV-UHFFFAOYSA-N
XLogP0.35
TPSA82.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.14
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-formyl-3-pyridinyl) carbamate?
The IUPAC name of (6-formyl-3-pyridinyl) carbamate (CID 175352673) is (6-formyl-3-pyridinyl) carbamate.
What is the SMILES notation for (6-formyl-3-pyridinyl) carbamate?
The canonical SMILES for (6-formyl-3-pyridinyl) carbamate is NC(=O)Oc1ccc(C=O)nc1.
What is the InChIKey of (6-formyl-3-pyridinyl) carbamate?
The InChIKey is FSZSSLNPDFRZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6N2O3/c8-7(11)12-6-2-1-5(4-10)9-3-6/h1-4H,(H2,8,11).
What are the key properties of (6-formyl-3-pyridinyl) carbamate?
(6-formyl-3-pyridinyl) carbamate has a molecular weight of 166.14 g/mol, XLogP of 0.35, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-formyl-3-pyridinyl) carbamate is sourced from PubChem (CID 175352673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).