(3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride

C7H8ClNO4 — CID 22363173

IUPAC(3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride
SMILESCOc1cccnc1OC(=O)O.Cl
InChIInChI=1S/C7H7NO4.ClH/c1-11-5-3-2-4-8-6(5)12-7(9)10;/h2-4H,1H3,(H,9,10);1H
InChIKeyNODLMFXNPOHZSF-UHFFFAOYSA-N
MW205.60 g/mol
LogP1.57
Rot. Bonds2

About (3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride

(3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride (PubChem CID 22363173) has the molecular formula C7H8ClNO4 and a molecular weight of 205.60 g/mol. Its IUPAC name is (3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride.

Molecular Properties

Compound Name(3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride
PubChem CID22363173
Molecular FormulaC7H8ClNO4
Molecular Weight205.60 g/mol
Exact Mass205.01
IUPAC Name(3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride
SMILESCOc1cccnc1OC(=O)O.Cl
InChIInChI=1S/C7H7NO4.ClH/c1-11-5-3-2-4-8-6(5)12-7(9)10;/h2-4H,1H3,(H,9,10);1H
InChIKeyNODLMFXNPOHZSF-UHFFFAOYSA-N
XLogP1.57
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.60
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3-sulfanyl-2-pyridinyl) hydrogen carbonate
CID 68785765
(3-carboxyoxypyrazin-2-yl) hydrogen carbonate
CID 66670690
2-(2,3-dimethoxyphenoxy)pyridine-3-carboxylic acid
CID 46779210
2-[2-[(2-methoxy-3-pyridinyl)methoxy]phenyl]acetic acid
CID 80741526
2-(3-methoxy-2-pyridinyl)acetic acid
CID 53411457
2-[(3-methoxy-2-pyridinyl)amino]acetic acid
CID 83828470
4-[(3-methoxy-2-pyridinyl)oxy]butan-1-ol
CID 57264913
2-[(3-methoxy-2-pyridinyl)oxy]-6-nitrobenzoic acid
CID 107342033
2-amino-2-(3-methoxy-2-pyridinyl)acetic acid
CID 55295273
sodium 3-methoxypyridine-2-carboxylate
CID 66803094
potassium 3-methoxypyridine-2-carboxylate
CID 159434407
bromo 3-methoxypyridine-2-carboxylate
CID 71151009

Frequently Asked Questions

What is the IUPAC name of (3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride?
The IUPAC name of (3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride (CID 22363173) is (3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride.
What is the SMILES notation for (3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride?
The canonical SMILES for (3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride is COc1cccnc1OC(=O)O.Cl.
What is the InChIKey of (3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride?
The InChIKey is NODLMFXNPOHZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7NO4.ClH/c1-11-5-3-2-4-8-6(5)12-7(9)10;/h2-4H,1H3,(H,9,10);1H.
What are the key properties of (3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride?
(3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride has a molecular weight of 205.60 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methoxy-2-pyridinyl) hydrogen carbonate;hydrochloride is sourced from PubChem (CID 22363173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).