[amino(pyridin-4-yl)methyl] formate

C7H8N2O2 — CID 174789488

IUPAC[amino(pyridin-4-yl)methyl] formate
SMILESNC(OC=O)c1ccncc1
InChIInChI=1S/C7H8N2O2/c8-7(11-5-10)6-1-3-9-4-2-6/h1-5,7H,8H2
InChIKeyNTPIBEUTIHOQHR-UHFFFAOYSA-N
MW152.15 g/mol
LogP0.21
Rot. Bonds3

About [amino(pyridin-4-yl)methyl] formate

[amino(pyridin-4-yl)methyl] formate (PubChem CID 174789488) has the molecular formula C7H8N2O2 and a molecular weight of 152.15 g/mol. Its IUPAC name is [amino(pyridin-4-yl)methyl] formate.

Molecular Properties

Compound Name[amino(pyridin-4-yl)methyl] formate
PubChem CID174789488
Molecular FormulaC7H8N2O2
Molecular Weight152.15 g/mol
Exact Mass152.06
IUPAC Name[amino(pyridin-4-yl)methyl] formate
SMILESNC(OC=O)c1ccncc1
InChIInChI=1S/C7H8N2O2/c8-7(11-5-10)6-1-3-9-4-2-6/h1-5,7H,8H2
InChIKeyNTPIBEUTIHOQHR-UHFFFAOYSA-N
XLogP0.21
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.15
LogP ≤ 50.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [amino(pyridin-4-yl)methyl] formate?
The IUPAC name of [amino(pyridin-4-yl)methyl] formate (CID 174789488) is [amino(pyridin-4-yl)methyl] formate.
What is the SMILES notation for [amino(pyridin-4-yl)methyl] formate?
The canonical SMILES for [amino(pyridin-4-yl)methyl] formate is NC(OC=O)c1ccncc1.
What is the InChIKey of [amino(pyridin-4-yl)methyl] formate?
The InChIKey is NTPIBEUTIHOQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2O2/c8-7(11-5-10)6-1-3-9-4-2-6/h1-5,7H,8H2.
What are the key properties of [amino(pyridin-4-yl)methyl] formate?
[amino(pyridin-4-yl)methyl] formate has a molecular weight of 152.15 g/mol, XLogP of 0.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [amino(pyridin-4-yl)methyl] formate is sourced from PubChem (CID 174789488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).