2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine

C9H13BrN2 — CID 130595242

IUPAC2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine
SMILESCc1cnc(Br)c(NC(C)C)c1
InChIInChI=1S/C9H13BrN2/c1-6(2)12-8-4-7(3)5-11-9(8)10/h4-6,12H,1-3H3
InChIKeyQEIPGVYWKIXYFI-UHFFFAOYSA-N
MW229.12 g/mol
LogP2.97
Rot. Bonds2

About 2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine

2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine (PubChem CID 130595242) has the molecular formula C9H13BrN2 and a molecular weight of 229.12 g/mol. Its IUPAC name is 2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine
PubChem CID130595242
Molecular FormulaC9H13BrN2
Molecular Weight229.12 g/mol
Exact Mass228.03
IUPAC Name2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine
SMILESCc1cnc(Br)c(NC(C)C)c1
InChIInChI=1S/C9H13BrN2/c1-6(2)12-8-4-7(3)5-11-9(8)10/h4-6,12H,1-3H3
InChIKeyQEIPGVYWKIXYFI-UHFFFAOYSA-N
XLogP2.97
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.12
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N,5-dimethylpyridin-3-amine
CID 130595273
5-methyl-N-propan-2-yl-2-propan-2-yloxypyridin-3-amine
CID 137457657
N-(2-bromo-5-methyl-3-pyridinyl)acetamide
CID 13467716
2-bromo-N-(2-methoxypropyl)-5-methylpyridin-3-amine
CID 131137663
N-(2-bromo-5-methyl-3-pyridinyl)-1-chloromethanesulfonamide
CID 130595270
3,5-dimethyl-N-propan-2-ylpyridin-2-amine
CID 130223836
N-(2-bromo-5-methyl-3-pyridinyl)prop-2-ynamide
CID 130595304
5-methyl-2-N-propan-2-ylpyridine-2,3-diamine
CID 64984981
(1R)-1-[4-methyl-2-(propan-2-ylamino)phenyl]ethane-1,2-diamine
CID 66517167
[6-bromo-4-(propan-2-ylamino)-3-pyridinyl]-hydroxyazanium
CID 144632987
2-bromo-5-methylpyridine-3-carbaldehyde
CID 70701053
3-bromo-N-(1-cyclohexylethyl)-5-methylpyridin-2-amine
CID 105366898

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine?
The IUPAC name of 2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine (CID 130595242) is 2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine?
The canonical SMILES for 2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine is Cc1cnc(Br)c(NC(C)C)c1.
What is the InChIKey of 2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine?
The InChIKey is QEIPGVYWKIXYFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2/c1-6(2)12-8-4-7(3)5-11-9(8)10/h4-6,12H,1-3H3.
What are the key properties of 2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine?
2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine has a molecular weight of 229.12 g/mol, XLogP of 2.97, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-methyl-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 130595242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).