6-methoxypyridine-3-carboxylate

C7H6NO3- — CID 7060527

IUPAC6-methoxypyridine-3-carboxylate
SMILESCOc1ccc(C(=O)[O-])cn1
InChIInChI=1S/C7H7NO3/c1-11-6-3-2-5(4-8-6)7(9)10/h2-4H,1H3,(H,9,10)/p-1
InChIKeyNVDJVEQITUWZDT-UHFFFAOYSA-M
MW152.13 g/mol
LogP-0.55
Rot. Bonds2

About 6-methoxypyridine-3-carboxylate

6-methoxypyridine-3-carboxylate (PubChem CID 7060527) has the molecular formula C7H6NO3- and a molecular weight of 152.13 g/mol. Its IUPAC name is 6-methoxypyridine-3-carboxylate.

Molecular Properties

Compound Name6-methoxypyridine-3-carboxylate
PubChem CID7060527
Molecular FormulaC7H6NO3-
Molecular Weight152.13 g/mol
Exact Mass152.04
IUPAC Name6-methoxypyridine-3-carboxylate
SMILESCOc1ccc(C(=O)[O-])cn1
InChIInChI=1S/C7H7NO3/c1-11-6-3-2-5(4-8-6)7(9)10/h2-4H,1H3,(H,9,10)/p-1
InChIKeyNVDJVEQITUWZDT-UHFFFAOYSA-M
XLogP-0.55
TPSA62.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.13
LogP ≤ 5-0.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethane;1-(6-methoxy-3-pyridinyl)ethanone
CID 142833845
N-(2-amino-2-oxoethoxy)-6-methoxypyridine-3-carboxamide
CID 112550755
6-methoxy-N-phenylpyridine-3-carboxamide
CID 44512975
N'-(4-chlorobenzoyl)-6-methoxypyridine-3-carbohydrazide
CID 27007451
1-(6-methoxy-3-pyridinyl)pent-3-yn-1-one
CID 130594890
[(3R,4S)-3,4-dihydroxypyrrolidin-1-yl]-(6-methoxy-3-pyridinyl)methanone
CID 79410382
(6-methoxy-3-pyridinyl)-(1H-pyrrol-2-yl)methanone
CID 130594883
N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-6-methoxypyridine-3-carboxamide
CID 107845114
(6-methoxy-3-pyridinyl)methanol;methyl 6-methoxypyridine-3-carboxylate
CID 158477481
1-(6-methoxy-3-pyridinyl)-3-phenylprop-2-yn-1-one
CID 67015597
(3,3-difluoroazetidin-1-yl)-(6-methoxy-3-pyridinyl)methanone
CID 122269367
2-bromo-1-(6-methoxy-3-pyridinyl)-4-methylpentan-1-one
CID 167489531

Frequently Asked Questions

What is the IUPAC name of 6-methoxypyridine-3-carboxylate?
The IUPAC name of 6-methoxypyridine-3-carboxylate (CID 7060527) is 6-methoxypyridine-3-carboxylate.
What is the SMILES notation for 6-methoxypyridine-3-carboxylate?
The canonical SMILES for 6-methoxypyridine-3-carboxylate is COc1ccc(C(=O)[O-])cn1.
What is the InChIKey of 6-methoxypyridine-3-carboxylate?
The InChIKey is NVDJVEQITUWZDT-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H7NO3/c1-11-6-3-2-5(4-8-6)7(9)10/h2-4H,1H3,(H,9,10)/p-1.
What are the key properties of 6-methoxypyridine-3-carboxylate?
6-methoxypyridine-3-carboxylate has a molecular weight of 152.13 g/mol, XLogP of -0.55, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxypyridine-3-carboxylate is sourced from PubChem (CID 7060527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).