4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride

C7H9BrClN3 — CID 133054142

IUPAC4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc(Br)cc(C)n1
InChIInChI=1S/C7H8BrN3.ClH/c1-4-2-5(8)3-6(11-4)7(9)10;/h2-3H,1H3,(H3,9,10);1H
InChIKeyXCKLERXBXPHPDY-UHFFFAOYSA-N
MW250.53 g/mol
LogP1.86
Rot. Bonds1

About 4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride

4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride (PubChem CID 133054142) has the molecular formula C7H9BrClN3 and a molecular weight of 250.53 g/mol. Its IUPAC name is 4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride
PubChem CID133054142
Molecular FormulaC7H9BrClN3
Molecular Weight250.53 g/mol
Exact Mass248.97
IUPAC Name4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1cc(Br)cc(C)n1
InChIInChI=1S/C7H8BrN3.ClH/c1-4-2-5(8)3-6(11-4)7(9)10;/h2-3H,1H3,(H3,9,10);1H
InChIKeyXCKLERXBXPHPDY-UHFFFAOYSA-N
XLogP1.86
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.53
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

6-chloro-4-methylpyridine-2-carboximidamide;hydrochloride
CID 53484967
4-bromo-2,6-dimethylbenzenecarboximidamide
CID 146550269
2-(5-bromo-2-chlorophenoxy)-6-methylpyrimidine-4-carboximidamide
CID 107551143
6-amino-2-methylpyrimidine-4-carboximidamide
CID 130647809
6-bromo-2-methylquinoline-4-carboximidamide
CID 82449066
2-(3,4-dihydroxypyrrolidin-1-yl)-6-methylpyrimidine-4-carboximidamide
CID 107550744
4-methoxy-6-methylpyrimidine-2-carboximidamide;hydrochloride
CID 122460829
6-methyl-2-thiomorpholin-4-ylpyrimidine-4-carboximidamide
CID 107550114
2-[2-(dimethylamino)ethyl-methylamino]-6-methylpyrimidine-4-carboximidamide
CID 107550514
2-[cyclopropyl(methyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550128
2-[bis(2-methylpropyl)amino]-6-methylpyrimidine-4-carboximidamide
CID 107550214
2-(dibutylamino)-6-methylpyrimidine-4-carboximidamide
CID 107550121

Frequently Asked Questions

What is the IUPAC name of 4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride?
The IUPAC name of 4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride (CID 133054142) is 4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride.
What is the SMILES notation for 4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride?
The canonical SMILES for 4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1cc(Br)cc(C)n1.
What is the InChIKey of 4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride?
The InChIKey is XCKLERXBXPHPDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8BrN3.ClH/c1-4-2-5(8)3-6(11-4)7(9)10;/h2-3H,1H3,(H3,9,10);1H.
What are the key properties of 4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride?
4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride has a molecular weight of 250.53 g/mol, XLogP of 1.86, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-6-methylpyridine-2-carboximidamide;hydrochloride is sourced from PubChem (CID 133054142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).