(2-pyridin-2-yl-1H-pyridin-2-yl) hydrogen carbonate

C11H10N2O3 — CID 175547748

IUPAC(2-pyridin-2-yl-1H-pyridin-2-yl) hydrogen carbonate
SMILESO=C(O)OC1(c2ccccn2)C=CC=CN1
InChIInChI=1S/C11H10N2O3/c14-10(15)16-11(6-2-4-8-13-11)9-5-1-3-7-12-9/h1-8,13H,(H,14,15)
InChIKeyNPKKXAZDANUHBF-UHFFFAOYSA-N
MW218.21 g/mol
LogP1.60
Rot. Bonds2

About (2-pyridin-2-yl-1H-pyridin-2-yl) hydrogen carbonate

(2-pyridin-2-yl-1H-pyridin-2-yl) hydrogen carbonate (PubChem CID 175547748) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is (2-pyridin-2-yl-1H-pyridin-2-yl) hydrogen carbonate.

Molecular Properties

Compound Name(2-pyridin-2-yl-1H-pyridin-2-yl) hydrogen carbonate
PubChem CID175547748
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name(2-pyridin-2-yl-1H-pyridin-2-yl) hydrogen carbonate
SMILESO=C(O)OC1(c2ccccn2)C=CC=CN1
InChIInChI=1S/C11H10N2O3/c14-10(15)16-11(6-2-4-8-13-11)9-5-1-3-7-12-9/h1-8,13H,(H,14,15)
InChIKeyNPKKXAZDANUHBF-UHFFFAOYSA-N
XLogP1.60
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-pyridin-2-yl-1H-pyridin-2-amine
CID 97049775
N-benzyl-N-hydroxy-2-pyridin-2-yl-1H-pyridine-2-carboxamide
CID 174723238
trimethyl-[(2-pyridin-2-yl-1H-pyridin-2-yl)methyl]silane
CID 11235743
[2-(2-pyridin-2-yl-1H-pyridin-2-yl)-4-pyridinyl]boronic acid
CID 172770928
1-pyridin-2-ylcyclopropane-1-carboxylic acid;hydrochloride
CID 56604209
2-phenylmethoxy-1H-pyridine-2-carboxylic acid
CID 19960310
3-pyridin-2-ylbicyclo[1.1.1]pentane-1-carboxylic acid;hydrochloride
CID 163342206
bis(2-pyridin-2-ylimidazol-2-yl)methanone
CID 70486580
methyl 2-anilino-1H-pyridine-2-carboxylate
CID 151544102
2-pyridin-3-yl-1H-pyridine-2-carboxylic acid
CID 68861523
4-amino-1-pyridin-2-ylcyclohexane-1-carboxylic acid
CID 83707122
methyl (1R)-2,2-diphenyl-1-pyridin-2-ylcyclopropane-1-carboxylate
CID 10958456

Frequently Asked Questions

What is the IUPAC name of (2-pyridin-2-yl-1H-pyridin-2-yl) hydrogen carbonate?
The IUPAC name of (2-pyridin-2-yl-1H-pyridin-2-yl) hydrogen carbonate (CID 175547748) is (2-pyridin-2-yl-1H-pyridin-2-yl) hydrogen carbonate.
What is the SMILES notation for (2-pyridin-2-yl-1H-pyridin-2-yl) hydrogen carbonate?
The canonical SMILES for (2-pyridin-2-yl-1H-pyridin-2-yl) hydrogen carbonate is O=C(O)OC1(c2ccccn2)C=CC=CN1.
What is the InChIKey of (2-pyridin-2-yl-1H-pyridin-2-yl) hydrogen carbonate?
The InChIKey is NPKKXAZDANUHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c14-10(15)16-11(6-2-4-8-13-11)9-5-1-3-7-12-9/h1-8,13H,(H,14,15).
What are the key properties of (2-pyridin-2-yl-1H-pyridin-2-yl) hydrogen carbonate?
(2-pyridin-2-yl-1H-pyridin-2-yl) hydrogen carbonate has a molecular weight of 218.21 g/mol, XLogP of 1.60, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-pyridin-2-yl-1H-pyridin-2-yl) hydrogen carbonate is sourced from PubChem (CID 175547748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).