5-chloro-2,3-dimethoxyisonicotinaldehyde

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CAS Number

1305324-66-6

MDL Number

MFCD20487003

Smiles

C1 (cnc (c (c1C=O) OC) OC) Cl

Chemical Information

5-Chloro-2,3-dimethoxyisonicotinaldehyde

CAS Number	1305324-66-6
PubChem CID	71299095
IUPAC Name	5-chloro-2,3-dimethoxypyridine-4-carbaldehyde
Molecular Formula	C8H8ClNO3
Molecular Weight	201.61
XLogP	1.2
Topological Polar Surface Area	48.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	13
Formal Charge	0
Complexity	179

SMILES

COC1=C(C(=CN=C1OC)Cl)C=O

InChI

InChI=1S/C8H8ClNO3/c1-12-7-5(4-11)6(9)3-10-8(7)13-2/h3-4H,1-2H3

InChIKey

YDVRFQLEURGEFE-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1305324-66-6

CID: 71299095

Formula: C8H8ClNO3

MW: 201.61

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	201.61
XLogP3	1.2
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	201.0192708
Monoisotopic Mass	201.0192708
Topological Polar Surface Area	48.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	179
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
OR1089630-01	3-Chloro-2,6-dimethoxyisonicotinaldehyde
OR87225-01	3,5-Dimethoxyisonicotinaldehyde
OR84321-01	2,3-Dimethoxyisonicotinaldehyde
OR1101301-01	2-Chloro-3,5-dibromothiophene
OR956999-01	5-Chloro-2,3-dihydrobenzofuran
PC1797-01	2-Chloro-3,5-difluorophenol
OR77138-01	2-Chloro-3,5-dimethoxyaniline
PC56948-01	2-Chloro-3,5-difluorobenzaldehyde
OR90868-01	5-Chloro-2,3-dimethoxybenzaldehyde
PC48596	5-Chloro-2,3-difluoroaniline

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