[6-(1H-pyrazol-4-yl)-2-pyridinyl] hydrogen carbonate

C9H7N3O3 — CID 118172883

IUPAC[6-(1H-pyrazol-4-yl)-2-pyridinyl] hydrogen carbonate
SMILESO=C(O)Oc1cccc(-c2cn[nH]c2)n1
InChIInChI=1S/C9H7N3O3/c13-9(14)15-8-3-1-2-7(12-8)6-4-10-11-5-6/h1-5H,(H,10,11)(H,13,14)
InChIKeyWEVCKPWLCMUWRS-UHFFFAOYSA-N
MW205.17 g/mol
LogP1.53
Rot. Bonds2

About [6-(1H-pyrazol-4-yl)-2-pyridinyl] hydrogen carbonate

[6-(1H-pyrazol-4-yl)-2-pyridinyl] hydrogen carbonate (PubChem CID 118172883) has the molecular formula C9H7N3O3 and a molecular weight of 205.17 g/mol. Its IUPAC name is [6-(1H-pyrazol-4-yl)-2-pyridinyl] hydrogen carbonate.

Molecular Properties

Compound Name[6-(1H-pyrazol-4-yl)-2-pyridinyl] hydrogen carbonate
PubChem CID118172883
Molecular FormulaC9H7N3O3
Molecular Weight205.17 g/mol
Exact Mass205.05
IUPAC Name[6-(1H-pyrazol-4-yl)-2-pyridinyl] hydrogen carbonate
SMILESO=C(O)Oc1cccc(-c2cn[nH]c2)n1
InChIInChI=1S/C9H7N3O3/c13-9(14)15-8-3-1-2-7(12-8)6-4-10-11-5-6/h1-5H,(H,10,11)(H,13,14)
InChIKeyWEVCKPWLCMUWRS-UHFFFAOYSA-N
XLogP1.53
TPSA88.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [6-(1H-pyrazol-4-yl)-2-pyridinyl] hydrogen carbonate?
The IUPAC name of [6-(1H-pyrazol-4-yl)-2-pyridinyl] hydrogen carbonate (CID 118172883) is [6-(1H-pyrazol-4-yl)-2-pyridinyl] hydrogen carbonate.
What is the SMILES notation for [6-(1H-pyrazol-4-yl)-2-pyridinyl] hydrogen carbonate?
The canonical SMILES for [6-(1H-pyrazol-4-yl)-2-pyridinyl] hydrogen carbonate is O=C(O)Oc1cccc(-c2cn[nH]c2)n1.
What is the InChIKey of [6-(1H-pyrazol-4-yl)-2-pyridinyl] hydrogen carbonate?
The InChIKey is WEVCKPWLCMUWRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7N3O3/c13-9(14)15-8-3-1-2-7(12-8)6-4-10-11-5-6/h1-5H,(H,10,11)(H,13,14).
What are the key properties of [6-(1H-pyrazol-4-yl)-2-pyridinyl] hydrogen carbonate?
[6-(1H-pyrazol-4-yl)-2-pyridinyl] hydrogen carbonate has a molecular weight of 205.17 g/mol, XLogP of 1.53, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(1H-pyrazol-4-yl)-2-pyridinyl] hydrogen carbonate is sourced from PubChem (CID 118172883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).