2-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine

C9H13BrN2O — CID 103744132

IUPAC2-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine
SMILESCOCC(C)Nc1cccnc1Br
InChIInChI=1S/C9H13BrN2O/c1-7(6-13-2)12-8-4-3-5-11-9(8)10/h3-5,7,12H,6H2,1-2H3
InChIKeyCLZCZACBFRMRRE-UHFFFAOYSA-N
MW245.12 g/mol
LogP2.29
Rot. Bonds4

About 2-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine

2-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine (PubChem CID 103744132) has the molecular formula C9H13BrN2O and a molecular weight of 245.12 g/mol. Its IUPAC name is 2-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine.

Molecular Properties

Compound Name2-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine
PubChem CID103744132
Molecular FormulaC9H13BrN2O
Molecular Weight245.12 g/mol
Exact Mass244.02
IUPAC Name2-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine
SMILESCOCC(C)Nc1cccnc1Br
InChIInChI=1S/C9H13BrN2O/c1-7(6-13-2)12-8-4-3-5-11-9(8)10/h3-5,7,12H,6H2,1-2H3
InChIKeyCLZCZACBFRMRRE-UHFFFAOYSA-N
XLogP2.29
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.12
LogP ≤ 52.29
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

2-methoxy-N-[(2R)-1-methoxypropan-2-yl]pyridin-3-amine
CID 92977511
N-(1-methoxypropan-2-yl)quinolin-5-amine
CID 62536398
N-(4-methoxybutan-2-yl)-2-methylpyridin-3-amine
CID 79042219
2-chloro-N-(1-methoxypropan-2-yl)aniline
CID 62535626
N-(1-methoxypropan-2-yl)-2-propoxyaniline
CID 62534500
methyl 2-(1-methoxypropan-2-ylamino)pyridine-3-carboxylate
CID 60722314
N-(2-bromo-3-pyridinyl)-2-(2-methoxyethoxy)acetamide
CID 103819290
2-(1-methoxypropan-2-ylamino)benzonitrile
CID 43180296
2-N-(2-methoxy-3-pyridinyl)propane-1,2-diamine
CID 103388537
3-ethyl-N-(1-methoxypropan-2-yl)-2-methylaniline
CID 90001609
2-methoxy-N-(4-methylpentan-2-yl)pyridin-3-amine
CID 43721890
3-chloro-2-fluoro-N-(1-methoxypropan-2-yl)aniline
CID 62535633

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine?
The IUPAC name of 2-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine (CID 103744132) is 2-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine.
What is the SMILES notation for 2-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine?
The canonical SMILES for 2-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine is COCC(C)Nc1cccnc1Br.
What is the InChIKey of 2-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine?
The InChIKey is CLZCZACBFRMRRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13BrN2O/c1-7(6-13-2)12-8-4-3-5-11-9(8)10/h3-5,7,12H,6H2,1-2H3.
What are the key properties of 2-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine?
2-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine has a molecular weight of 245.12 g/mol, XLogP of 2.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(1-methoxypropan-2-yl)pyridin-3-amine is sourced from PubChem (CID 103744132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).