3-bromo-5-iodo-N,N,4-trimethylpyridin-2-amine

C8H10BrIN2 — CID 155980084

IUPAC3-bromo-5-iodo-N,N,4-trimethylpyridin-2-amine
SMILESCc1c(I)cnc(N(C)C)c1Br
InChIInChI=1S/C8H10BrIN2/c1-5-6(10)4-11-8(7(5)9)12(2)3/h4H,1-3H3
InChIKeyBYKDDUGTJZBRQR-UHFFFAOYSA-N
MW340.99 g/mol
LogP2.82
Rot. Bonds1

About 3-bromo-5-iodo-N,N,4-trimethylpyridin-2-amine

3-bromo-5-iodo-N,N,4-trimethylpyridin-2-amine (PubChem CID 155980084) has the molecular formula C8H10BrIN2 and a molecular weight of 340.99 g/mol. Its IUPAC name is 3-bromo-5-iodo-N,N,4-trimethylpyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-iodo-N,N,4-trimethylpyridin-2-amine
PubChem CID155980084
Molecular FormulaC8H10BrIN2
Molecular Weight340.99 g/mol
Exact Mass339.91
IUPAC Name3-bromo-5-iodo-N,N,4-trimethylpyridin-2-amine
SMILESCc1c(I)cnc(N(C)C)c1Br
InChIInChI=1S/C8H10BrIN2/c1-5-6(10)4-11-8(7(5)9)12(2)3/h4H,1-3H3
InChIKeyBYKDDUGTJZBRQR-UHFFFAOYSA-N
XLogP2.82
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.99
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N,N,3-trimethyl-5-propan-2-ylpyridin-2-amine
CID 130320637
5-bromo-3-(tert-butylamino)sulfanyl-N,N,4-trimethylpyridin-2-amine
CID 144889480
3-bromo-4-methyl-2-N,2-N-bis(2-methylpropyl)pyridine-2,5-diamine
CID 104506452
2-[(3-bromo-4-methyl-5-nitro-2-pyridinyl)-methylamino]-2-methylpropanoic acid
CID 113420599
3-fluoro-5-iodo-4-methylpyridin-2-amine
CID 166029092
3-(dimethylamino)-6-methyl-1H-pyrazin-2-one
CID 176992180
3-bromo-2-N-[2-(dimethylamino)ethyl]-4-methyl-2-N-propylpyridine-2,5-diamine
CID 104506702
5-bromo-N-tert-butyl-2-(dimethylamino)-4-methylpyridine-3-sulfonamide
CID 118298898
3-bromo-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 22000225
(1R)-1-[6-(dimethylamino)-5-methyl-3-pyridinyl]ethanol
CID 124501239
3-bromo-2-N-(3-methoxypropyl)-2-N,4-dimethylpyridine-2,5-diamine
CID 104506805
3-bromo-2-N,4-dimethyl-2-N-(2-phenylethyl)pyridine-2,5-diamine
CID 104506952

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-iodo-N,N,4-trimethylpyridin-2-amine?
The IUPAC name of 3-bromo-5-iodo-N,N,4-trimethylpyridin-2-amine (CID 155980084) is 3-bromo-5-iodo-N,N,4-trimethylpyridin-2-amine.
What is the SMILES notation for 3-bromo-5-iodo-N,N,4-trimethylpyridin-2-amine?
The canonical SMILES for 3-bromo-5-iodo-N,N,4-trimethylpyridin-2-amine is Cc1c(I)cnc(N(C)C)c1Br.
What is the InChIKey of 3-bromo-5-iodo-N,N,4-trimethylpyridin-2-amine?
The InChIKey is BYKDDUGTJZBRQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10BrIN2/c1-5-6(10)4-11-8(7(5)9)12(2)3/h4H,1-3H3.
What are the key properties of 3-bromo-5-iodo-N,N,4-trimethylpyridin-2-amine?
3-bromo-5-iodo-N,N,4-trimethylpyridin-2-amine has a molecular weight of 340.99 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-iodo-N,N,4-trimethylpyridin-2-amine is sourced from PubChem (CID 155980084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).