6-bromo-2-methoxy-N-propan-2-ylpyridin-3-amine

C9H13BrN2O — CID 71359476

IUPAC6-bromo-2-methoxy-N-propan-2-ylpyridin-3-amine
SMILESCOc1nc(Br)ccc1NC(C)C
InChIInChI=1S/C9H13BrN2O/c1-6(2)11-7-4-5-8(10)12-9(7)13-3/h4-6,11H,1-3H3
InChIKeyCYFXZOXFAKLRSK-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.67
Rot. Bonds3

About 6-bromo-2-methoxy-N-propan-2-ylpyridin-3-amine

6-bromo-2-methoxy-N-propan-2-ylpyridin-3-amine (PubChem CID 71359476) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 6-bromo-2-methoxy-N-propan-2-ylpyridin-3-amine.

Molecular Properties

Compound Name6-bromo-2-methoxy-N-propan-2-ylpyridin-3-amine
PubChem CID71359476
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name6-bromo-2-methoxy-N-propan-2-ylpyridin-3-amine
SMILESCOc1nc(Br)ccc1NC(C)C
InChIInChI=1S/C9H13BrN2O/c1-6(2)11-7-4-5-8(10)12-9(7)13-3/h4-6,11H,1-3H3
InChIKeyCYFXZOXFAKLRSK-UHFFFAOYSA-N
XLogP2.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N'-(6-bromo-2-methoxy-3-pyridinyl)-N-methylethane-1,2-diamine
CID 138571158
(1S)-1-(6-bromo-2-methoxy-3-pyridinyl)ethanamine;hydrochloride
CID 169081733
N-[(1S)-1-(6-bromo-2-methoxy-3-pyridinyl)ethyl]-2-methylpropane-2-sulfinamide
CID 146236543
methyl 2-(6-bromo-2-methoxy-3-pyridinyl)acetate
CID 133098116
6-bromo-2-methoxypyridine-3-carboxylic acid
CID 71303922
N'-(6-bromo-2-methoxy-3-pyridinyl)-3-ethoxyprop-2-enehydrazide
CID 131748278
6-bromo-2-methoxy-3-(trifluoromethoxy)pyridine
CID 130089390
2,3-difluoro-4-methoxy-N-propan-2-ylaniline
CID 118342449
2-methoxy-4-methyl-N-propan-2-ylaniline
CID 59391426
6-methoxy-N-propan-2-ylpyridin-2-amine
CID 15593350
6-bromo-2-(difluoromethoxy)-3-propan-2-ylpyridine
CID 176611254
1-(2,6-dimethoxy-3-pyridinyl)-3-(2-propan-2-ylphenyl)urea
CID 167457260

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-methoxy-N-propan-2-ylpyridin-3-amine?
The IUPAC name of 6-bromo-2-methoxy-N-propan-2-ylpyridin-3-amine (CID 71359476) is 6-bromo-2-methoxy-N-propan-2-ylpyridin-3-amine.
What is the SMILES notation for 6-bromo-2-methoxy-N-propan-2-ylpyridin-3-amine?
The canonical SMILES for 6-bromo-2-methoxy-N-propan-2-ylpyridin-3-amine is COc1nc(Br)ccc1NC(C)C.
What is the InChIKey of 6-bromo-2-methoxy-N-propan-2-ylpyridin-3-amine?
The InChIKey is CYFXZOXFAKLRSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-6(2)11-7-4-5-8(10)12-9(7)13-3/h4-6,11H,1-3H3.
What are the key properties of 6-bromo-2-methoxy-N-propan-2-ylpyridin-3-amine?
6-bromo-2-methoxy-N-propan-2-ylpyridin-3-amine has a molecular weight of 245.12 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-methoxy-N-propan-2-ylpyridin-3-amine is sourced from PubChem (CID 71359476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).