3-chloro-5-ethynyl-2-methoxypyridine

C8H6ClNO — CID 74890928

IUPAC3-chloro-5-ethynyl-2-methoxypyridine
SMILESC#Cc1cnc(OC)c(Cl)c1
InChIInChI=1S/C8H6ClNO/c1-3-6-4-7(9)8(11-2)10-5-6/h1,4-5H,2H3
InChIKeyDRSWTINRHQGQET-UHFFFAOYSA-N
MW167.59 g/mol
LogP1.72
Rot. Bonds1

About 3-chloro-5-ethynyl-2-methoxypyridine

3-chloro-5-ethynyl-2-methoxypyridine (PubChem CID 74890928) has the molecular formula C8H6ClNO and a molecular weight of 167.59 g/mol. Its IUPAC name is 3-chloro-5-ethynyl-2-methoxypyridine.

Molecular Properties

Compound Name3-chloro-5-ethynyl-2-methoxypyridine
PubChem CID74890928
Molecular FormulaC8H6ClNO
Molecular Weight167.59 g/mol
Exact Mass167.01
IUPAC Name3-chloro-5-ethynyl-2-methoxypyridine
SMILESC#Cc1cnc(OC)c(Cl)c1
InChIInChI=1S/C8H6ClNO/c1-3-6-4-7(9)8(11-2)10-5-6/h1,4-5H,2H3
InChIKeyDRSWTINRHQGQET-UHFFFAOYSA-N
XLogP1.72
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

5-chloro-3-ethynyl-2-methoxypyridine
CID 74890929
1,3-dichloro-5-ethynyl-2-methoxybenzene
CID 125479926
3-chloro-2-methoxy-5-methylpyridine;methanamine
CID 163239681
2-chloro-5-ethynylpyridin-3-ol
CID 74892636
5-ethynyl-3-methoxypyridin-2-amine
CID 74890841
5-chloro-3-methoxy-2-prop-2-ynoxypyridine
CID 11356063
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255
(1R)-1-(5-chloro-6-methoxy-3-pyridinyl)-2-methylpropan-1-amine
CID 130632520
2-methoxypyridine-3,5-dicarbonitrile
CID 84650868
5-chloro-6-ethynylpyridine-3-carbonitrile
CID 122241554
2-amino-2-(5-chloro-6-methoxy-3-pyridinyl)ethanol
CID 83881341
(2R)-2-amino-2-(5-chloro-6-methoxy-3-pyridinyl)ethanol
CID 131056244

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-ethynyl-2-methoxypyridine?
The IUPAC name of 3-chloro-5-ethynyl-2-methoxypyridine (CID 74890928) is 3-chloro-5-ethynyl-2-methoxypyridine.
What is the SMILES notation for 3-chloro-5-ethynyl-2-methoxypyridine?
The canonical SMILES for 3-chloro-5-ethynyl-2-methoxypyridine is C#Cc1cnc(OC)c(Cl)c1.
What is the InChIKey of 3-chloro-5-ethynyl-2-methoxypyridine?
The InChIKey is DRSWTINRHQGQET-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO/c1-3-6-4-7(9)8(11-2)10-5-6/h1,4-5H,2H3.
What are the key properties of 3-chloro-5-ethynyl-2-methoxypyridine?
3-chloro-5-ethynyl-2-methoxypyridine has a molecular weight of 167.59 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-ethynyl-2-methoxypyridine is sourced from PubChem (CID 74890928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).