2-(pyridin-2-ylamino)ethyl hydrogen carbonate

C8H10N2O3 — CID 91086886

IUPAC2-(pyridin-2-ylamino)ethyl hydrogen carbonate
SMILESO=C(O)OCCNc1ccccn1
InChIInChI=1S/C8H10N2O3/c11-8(12)13-6-5-10-7-3-1-2-4-9-7/h1-4H,5-6H2,(H,9,10)(H,11,12)
InChIKeyDKBKBWRXEWSDDY-UHFFFAOYSA-N
MW182.18 g/mol
LogP1.19
Rot. Bonds4

About 2-(pyridin-2-ylamino)ethyl hydrogen carbonate

2-(pyridin-2-ylamino)ethyl hydrogen carbonate (PubChem CID 91086886) has the molecular formula C8H10N2O3 and a molecular weight of 182.18 g/mol. Its IUPAC name is 2-(pyridin-2-ylamino)ethyl hydrogen carbonate.

Molecular Properties

Compound Name2-(pyridin-2-ylamino)ethyl hydrogen carbonate
PubChem CID91086886
Molecular FormulaC8H10N2O3
Molecular Weight182.18 g/mol
Exact Mass182.07
IUPAC Name2-(pyridin-2-ylamino)ethyl hydrogen carbonate
SMILESO=C(O)OCCNc1ccccn1
InChIInChI=1S/C8H10N2O3/c11-8(12)13-6-5-10-7-3-1-2-4-9-7/h1-4H,5-6H2,(H,9,10)(H,11,12)
InChIKeyDKBKBWRXEWSDDY-UHFFFAOYSA-N
XLogP1.19
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.18
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(pyridin-2-ylamino)ethyl 2-phenylacetate
CID 58460517
5-(pyridin-2-ylamino)pentanoic acid
CID 18518151
2-(pyridazin-3-ylamino)ethyl pyridine-2-carboxylate
CID 71973059
N,N'-dipyridin-2-ylnonane-1,9-diamine
CID 86213861
N-(2-methoxyethyl)-3-(pyridin-2-ylamino)propanamide
CID 47371043
4-[2-(pyridin-2-ylamino)ethyl]benzoic acid
CID 82513444
N-(2-fluoroethyl)pyridin-2-amine
CID 23204810
(3S)-4-methoxy-4-oxo-3-[3-(pyridin-2-ylamino)propanoylamino]butanoic acid
CID 166386107
N'-pyridin-2-ylmethanediamine
CID 115225472
methyl 2-(pyridin-2-ylamino)acetate;hydrochloride
CID 18418885
2,2-dimethyl-3-(pyridin-2-ylamino)propanoic acid
CID 115136447
(3S)-3-amino-4-[4-[3-(pyridin-2-ylamino)propoxy]phenyl]butanoic acid
CID 122522413

Frequently Asked Questions

What is the IUPAC name of 2-(pyridin-2-ylamino)ethyl hydrogen carbonate?
The IUPAC name of 2-(pyridin-2-ylamino)ethyl hydrogen carbonate (CID 91086886) is 2-(pyridin-2-ylamino)ethyl hydrogen carbonate.
What is the SMILES notation for 2-(pyridin-2-ylamino)ethyl hydrogen carbonate?
The canonical SMILES for 2-(pyridin-2-ylamino)ethyl hydrogen carbonate is O=C(O)OCCNc1ccccn1.
What is the InChIKey of 2-(pyridin-2-ylamino)ethyl hydrogen carbonate?
The InChIKey is DKBKBWRXEWSDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O3/c11-8(12)13-6-5-10-7-3-1-2-4-9-7/h1-4H,5-6H2,(H,9,10)(H,11,12).
What are the key properties of 2-(pyridin-2-ylamino)ethyl hydrogen carbonate?
2-(pyridin-2-ylamino)ethyl hydrogen carbonate has a molecular weight of 182.18 g/mol, XLogP of 1.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(pyridin-2-ylamino)ethyl hydrogen carbonate is sourced from PubChem (CID 91086886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).