3-Fluoropicolinaldehyde hydrochloride

CAT: 0127-PC1022560-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-PC1022560-01Size:1 g

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CAS Number

2404733-71-5

MDL Number

MFCD32632325

Purity

97%

Smiles

C1cnc (c (c1) F) C=O.Cl

Chemical Information

3-Fluoropicolinaldehyde hydrochloride

CAS Number	2404733-71-5
PubChem CID	146035469
IUPAC Name	3-fluoropyridine-2-carbaldehyde;hydrochloride
Molecular Formula	C6H5ClFNO
Molecular Weight	161.56
Topological Polar Surface Area	30
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	10
Formal Charge	0
Complexity	107

SMILES

C1=CC(=C(N=C1)C=O)F.Cl

InChI

InChI=1S/C6H4FNO.ClH/c7-5-2-1-3-8-6(5)4-9;/h1-4H;1H

InChIKey

LUPPTCNVAMTKHR-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2404733-71-5

CID: 146035469

Formula: C6H5ClFNO

MW: 161.56

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	161.56
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	161.0043696
Monoisotopic Mass	161.0043696
Topological Polar Surface Area	30 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	107
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	2
Compound Is Canonicalized	Yes

Catalog	Name
PC201351-01	6-Chloro-3-fluoropicolinaldehyde
PC102200-01	3-Bromo-5-fluoropicolinaldehyde
PC1001533-01	3-Amino-5-fluoropicolinaldehyde
PC100575-01	4-Bromo-3-fluoropicolinaldehyde
PC111234-01	4-Chloro-3-fluoropicolinaldehyde
PC1007563-01	5-Cyclopropyl-3-fluoropicolinaldehyde
PC102801	3-Bromo-6-fluoropicolinaldehyde
PC421148-01	5-Bromo-3-fluoropicolinaldehyde
PC51357-01	3-Chloro-5-fluoropicolinaldehyde
PC102409-01	4-Fluoropicolinaldehyde

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