(1-amino-2-pyridin-3-ylethyl) formate

C8H10N2O2 — CID 174641191

IUPAC(1-amino-2-pyridin-3-ylethyl) formate
SMILESNC(Cc1cccnc1)OC=O
InChIInChI=1S/C8H10N2O2/c9-8(12-6-11)4-7-2-1-3-10-5-7/h1-3,5-6,8H,4,9H2
InChIKeyXOIKFHVPDCHGGG-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.08
Rot. Bonds4

About (1-amino-2-pyridin-3-ylethyl) formate

(1-amino-2-pyridin-3-ylethyl) formate (PubChem CID 174641191) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is (1-amino-2-pyridin-3-ylethyl) formate.

Molecular Properties

Compound Name(1-amino-2-pyridin-3-ylethyl) formate
PubChem CID174641191
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name(1-amino-2-pyridin-3-ylethyl) formate
SMILESNC(Cc1cccnc1)OC=O
InChIInChI=1S/C8H10N2O2/c9-8(12-6-11)4-7-2-1-3-10-5-7/h1-3,5-6,8H,4,9H2
InChIKeyXOIKFHVPDCHGGG-UHFFFAOYSA-N
XLogP0.08
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.08
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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Related Compounds

1-nitroso-2-pyridin-3-ylethanamine
CID 154954091
(1-oxo-3-pyridin-3-ylpropan-2-yl) carbamate
CID 175424495
(2S)-1-pyridin-3-ylbutan-2-amine
CID 93246137
(1-amino-2-pyridin-3-ylethyl)phosphonic acid
CID 15083562
3-(2,2-dimethoxyethyl)pyridine
CID 118705230
prop-2-enyl 2-formyl-3-pyridin-3-ylpropanoate
CID 88747372
(2S)-4-methyl-1-pyridin-3-ylpentan-2-amine
CID 94470637
1-cyclopropyl-3-pyridin-3-ylpropan-2-amine
CID 64906812
2-methoxyethyl (2R)-2-amino-3-pyridin-3-ylpropanoate
CID 142428515
1-amino-3-pyridin-3-ylpropan-2-ol
CID 56924494
4,4,4-trifluoro-1-pyridin-3-ylbutan-2-amine
CID 104736235
1-pyridin-3-ylpropane-2-sulfonic acid
CID 162352665

Frequently Asked Questions

What is the IUPAC name of (1-amino-2-pyridin-3-ylethyl) formate?
The IUPAC name of (1-amino-2-pyridin-3-ylethyl) formate (CID 174641191) is (1-amino-2-pyridin-3-ylethyl) formate.
What is the SMILES notation for (1-amino-2-pyridin-3-ylethyl) formate?
The canonical SMILES for (1-amino-2-pyridin-3-ylethyl) formate is NC(Cc1cccnc1)OC=O.
What is the InChIKey of (1-amino-2-pyridin-3-ylethyl) formate?
The InChIKey is XOIKFHVPDCHGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c9-8(12-6-11)4-7-2-1-3-10-5-7/h1-3,5-6,8H,4,9H2.
What are the key properties of (1-amino-2-pyridin-3-ylethyl) formate?
(1-amino-2-pyridin-3-ylethyl) formate has a molecular weight of 166.18 g/mol, XLogP of 0.08, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-amino-2-pyridin-3-ylethyl) formate is sourced from PubChem (CID 174641191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).