6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide

C13H12BrN3 — CID 82452729

IUPAC6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(Br)cc2)nc1C
InChIInChI=1S/C13H12BrN3/c1-8-11(13(15)16)6-7-12(17-8)9-2-4-10(14)5-3-9/h2-7H,1H3,(H3,15,16)
InChIKeySPZLZXSSAHWRCR-UHFFFAOYSA-N
MW290.16 g/mol
LogP3.10
Rot. Bonds2

About 6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide

6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide (PubChem CID 82452729) has the molecular formula C13H12BrN3 and a molecular weight of 290.16 g/mol. Its IUPAC name is 6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide.

Molecular Properties

Compound Name6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide
PubChem CID82452729
Molecular FormulaC13H12BrN3
Molecular Weight290.16 g/mol
Exact Mass289.02
IUPAC Name6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(Br)cc2)nc1C
InChIInChI=1S/C13H12BrN3/c1-8-11(13(15)16)6-7-12(17-8)9-2-4-10(14)5-3-9/h2-7H,1H3,(H3,15,16)
InChIKeySPZLZXSSAHWRCR-UHFFFAOYSA-N
XLogP3.10
TPSA62.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.16
LogP ≤ 53.10
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

2-bromo-1-[6-(4-bromophenyl)-2-methyl-3-pyridinyl]ethanone;hydrobromide
CID 44890736
6-(2,4-dimethylphenyl)-2-methylpyridine-3-carboximidamide
CID 82452571
6-(3-ethoxyphenyl)-2-methylpyridine-3-carboximidamide
CID 82453003
2-methyl-6-propan-2-ylsulfanylpyridine-3-carboximidamide
CID 130560252
2-bromo-1-[6-[4-(4-bromophenoxy)phenyl]-2-methyl-3-pyridinyl]ethanone
CID 91871566
3-amino-6-(4-methylphenyl)pyridine-2-carboximidamide
CID 134374715
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
2-(4-bromophenyl)-4-methoxybenzenecarboximidamide
CID 69436393
6-ethylsulfanyl-2-methylpyridine-3-carboximidamide
CID 130560250
1-(4-bromophenyl)-5-methylpyrazole-4-carboximidamide
CID 82528338
6-bromo-2-methylquinoline-4-carboximidamide
CID 82449066
1-[6-(4-chlorophenyl)-2-methyl-3-pyridinyl]ethanone
CID 11043024

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide?
The IUPAC name of 6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide (CID 82452729) is 6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide.
What is the SMILES notation for 6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide?
The canonical SMILES for 6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(Br)cc2)nc1C.
What is the InChIKey of 6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide?
The InChIKey is SPZLZXSSAHWRCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12BrN3/c1-8-11(13(15)16)6-7-12(17-8)9-2-4-10(14)5-3-9/h2-7H,1H3,(H3,15,16).
What are the key properties of 6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide?
6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide has a molecular weight of 290.16 g/mol, XLogP of 3.10, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromophenyl)-2-methylpyridine-3-carboximidamide is sourced from PubChem (CID 82452729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).