4-Iodo-1-methylpyrazole

CAT: 0926-FI75464-01Size: 0.1 KgDry Ice: NoHazardous: No

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CAT#:0926-FI75464-01Size:0.1 Kg

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CAS Number

39806-90-1

MDL Number

MFCD05663860

Smiles

CN1C=C (C=N1) I

Molecular Formula

C4H5IN2

Molecular Weight

208 g/mol

Controlled

Chemical Information

1-Methyl-4-iodo-1H-pyrazole

CAS Number	39806-90-1
PubChem CID	2734773
IUPAC Name	4-iodo-1-methylpyrazole
Molecular Formula	C4H5IN2
Molecular Weight	208.00
XLogP	0.9
Topological Polar Surface Area	17.8
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Heavy Atom Count	7
Formal Charge	0
Complexity	66

SMILES

CN1C=C(C=N1)I

InChI

InChI=1S/C4H5IN2/c1-7-3-4(5)2-6-7/h2-3H,1H3

InChIKey

RSDRDHPLXWMTRJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 39806-90-1

CID: 2734773

Formula: C4H5IN2

MW: 208.00

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	208.00
XLogP3	0.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	0
Exact Mass	207.94975
Monoisotopic Mass	207.94975
Topological Polar Surface Area	17.8 Å²
Heavy Atom Count	7
Formal Charge	0
Complexity	66.7
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
FM36058-01	4-Methylpyrazole
KDA29080	Ethyl 1-methylpyrazole-4-carboxylate
AHA20481	4-Chloro-1-methylpyrazole-3-carboxaldehyde
FB40738-01	4-Bromo-3-methylpyrazole
FM29364-01	1-Methylpyrazole-4-boronic acid pinacol ester
FA67662-01	3-Amino-1-methylpyrazole
FI70119-01	1-Iodo-4-nitrobenzene
FI24600-01	4-Iodo-1-tritylimidazole
QCA50078-01	1-Iodo-4-methylcyclohexane
TBA00125	4-Iodo-1-butyne

Catalog	Name
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OR84973-01	4-Iodo-2-methylpyrazole-3-carbonitrile
M15874-01	4-Methylpyrazole
abx182040-01	4-Aminomethyl-1-methylpyrazole
OR1011569-01	4-Hydroxymethyl-1-Methylpyrazole
abx183502-01	4-Amino-1-methylpyrazole
sc-224758	1-Methylpyrazole
OR92649-01	1- (4-Bromophenyl) -3-methylpyrazole
sc-214254A	4-Methylpyrazole hydrochloride
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