(5-acetamido-2-pyridinyl) hydrogen carbonate

C8H8N2O4 — CID 91622867

IUPAC(5-acetamido-2-pyridinyl) hydrogen carbonate
SMILESCC(=O)Nc1ccc(OC(=O)O)nc1
InChIInChI=1S/C8H8N2O4/c1-5(11)10-6-2-3-7(9-4-6)14-8(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyIBMQYBFQVSGZNF-UHFFFAOYSA-N
MW196.16 g/mol
LogP1.10
Rot. Bonds2

About (5-acetamido-2-pyridinyl) hydrogen carbonate

(5-acetamido-2-pyridinyl) hydrogen carbonate (PubChem CID 91622867) has the molecular formula C8H8N2O4 and a molecular weight of 196.16 g/mol. Its IUPAC name is (5-acetamido-2-pyridinyl) hydrogen carbonate.

Molecular Properties

Compound Name(5-acetamido-2-pyridinyl) hydrogen carbonate
PubChem CID91622867
Molecular FormulaC8H8N2O4
Molecular Weight196.16 g/mol
Exact Mass196.05
IUPAC Name(5-acetamido-2-pyridinyl) hydrogen carbonate
SMILESCC(=O)Nc1ccc(OC(=O)O)nc1
InChIInChI=1S/C8H8N2O4/c1-5(11)10-6-2-3-7(9-4-6)14-8(12)13/h2-4H,1H3,(H,10,11)(H,12,13)
InChIKeyIBMQYBFQVSGZNF-UHFFFAOYSA-N
XLogP1.10
TPSA88.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-acetamidopyridine-2-carboxylic acid
CID 5278292
(5-hydroxy-2-pyridinyl) hydrogen carbonate
CID 67072621
(5-tert-butyl-2-pyridinyl) hydrogen carbonate
CID 118071933
4-[[6-(4-acetamidophenoxy)-3-pyridinyl]amino]-4-oxobutanoic acid
CID 39194101
3-acetamido-N-(6-methoxy-3-pyridinyl)propanamide
CID 47096905
N-(6-cyano-3-pyridinyl)acetamide
CID 59578592
N-[6-(trifluoromethyl)-3-pyridinyl]acetamide
CID 59578511
4-amino-2-[(6-methoxy-3-pyridinyl)carbamoylamino]-4-oxobutanoic acid
CID 61188024
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
ethyl (5-methyl-2-pyridinyl) carbonate
CID 70426723
2-amino-N-(6-methoxy-3-pyridinyl)-2-methylpropanamide
CID 61266355
2,3,3-trichloro-N-(6-methoxy-3-pyridinyl)prop-2-enamide
CID 3780869

Frequently Asked Questions

What is the IUPAC name of (5-acetamido-2-pyridinyl) hydrogen carbonate?
The IUPAC name of (5-acetamido-2-pyridinyl) hydrogen carbonate (CID 91622867) is (5-acetamido-2-pyridinyl) hydrogen carbonate.
What is the SMILES notation for (5-acetamido-2-pyridinyl) hydrogen carbonate?
The canonical SMILES for (5-acetamido-2-pyridinyl) hydrogen carbonate is CC(=O)Nc1ccc(OC(=O)O)nc1.
What is the InChIKey of (5-acetamido-2-pyridinyl) hydrogen carbonate?
The InChIKey is IBMQYBFQVSGZNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O4/c1-5(11)10-6-2-3-7(9-4-6)14-8(12)13/h2-4H,1H3,(H,10,11)(H,12,13).
What are the key properties of (5-acetamido-2-pyridinyl) hydrogen carbonate?
(5-acetamido-2-pyridinyl) hydrogen carbonate has a molecular weight of 196.16 g/mol, XLogP of 1.10, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-acetamido-2-pyridinyl) hydrogen carbonate is sourced from PubChem (CID 91622867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).