4-Bromo-5-methylpicolinic acid

CAT: 0926-WXB15493-01Size: 1 gDry Ice: NoHazardous: No

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CAT#:0926-WXB15493-01Size:1 g

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CAS Number

1196154-93-4

MDL Number

MFCD13190305

Smiles

CC1=CN=C (C=C1Br) C (=O) O

Molecular Formula

C7H6BrNO2

Molecular Weight

216.03 g/mol

Controlled

Chemical Information

4-Bromo-5-methylpyridine-2-carboxylic acid

CAS Number	1196154-93-4
PubChem CID	66628510
IUPAC Name	4-bromo-5-methylpyridine-2-carboxylic acid
Molecular Formula	C7H6BrNO2
Molecular Weight	216.03
XLogP	1.8
Topological Polar Surface Area	50.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Heavy Atom Count	11
Formal Charge	0
Complexity	163

SMILES

CC1=CN=C(C=C1Br)C(=O)O

InChI

InChI=1S/C7H6BrNO2/c1-4-3-9-6(7(10)11)2-5(4)8/h2-3H,1H3,(H,10,11)

InChIKey

QBHUWQKVSFENQT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1196154-93-4

CID: 66628510

Formula: C7H6BrNO2

MW: 216.03

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	216.03
XLogP3	1.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	214.95819
Monoisotopic Mass	214.95819
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	11
Formal Charge	0
Complexity	163
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
FB46394-01	3-Bromo-6-methylpicolinic acid
CCB70258	5-Bromo-4-methylnicotinic acid
GAC78942-01	5-Methoxy-3-methylpicolinic acid
VXC68727-01	5-Bromo-6-methoxy-4-methylnicotinic acid
KSB80474-01	6-Bromo-4-methylnicotinic acid
LYB58666-01	5-Bromo-4-methoxypicolinic acid
LYB57902	6-Methoxy-3-methylpicolinic acid
PAA16288-01	3-Hydroxy-6-methylpicolinic acid
SIB13627	5-Bromo-2,4-dimethylbenzoic acid
FB67069-01	2-Bromo-4,5-dimethoxyphenylacetic acid

Catalog	Name
OR73515-01	4-Bromo-5-methylpicolinic acid
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OR1060019-01	3-Bromo-4-methylpicolinic acid
OR82929-01	4-Bromo-3-methylpicolinic acid
OR83710-01	4-Bromo-6-methylpicolinic acid
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