3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine

C10H14BrClN2O — CID 106154086

IUPAC3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine
SMILESCOCC(CCCl)Nc1ccncc1Br
InChIInChI=1S/C10H14BrClN2O/c1-15-7-8(2-4-12)14-10-3-5-13-6-9(10)11/h3,5-6,8H,2,4,7H2,1H3,(H,13,14)
InChIKeyNWGKGWALLLGRNG-UHFFFAOYSA-N
MW293.59 g/mol
LogP2.90
Rot. Bonds6

About 3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine

3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine (PubChem CID 106154086) has the molecular formula C10H14BrClN2O and a molecular weight of 293.59 g/mol. Its IUPAC name is 3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine
PubChem CID106154086
Molecular FormulaC10H14BrClN2O
Molecular Weight293.59 g/mol
Exact Mass292.00
IUPAC Name3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine
SMILESCOCC(CCCl)Nc1ccncc1Br
InChIInChI=1S/C10H14BrClN2O/c1-15-7-8(2-4-12)14-10-3-5-13-6-9(10)11/h3,5-6,8H,2,4,7H2,1H3,(H,13,14)
InChIKeyNWGKGWALLLGRNG-UHFFFAOYSA-N
XLogP2.90
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.59
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(4-chloro-1-methoxybutan-2-yl)isoquinolin-1-amine
CID 106153795
3-bromo-N-(4-chloropentan-2-yl)pyridin-4-amine
CID 104779520
3-[(3-bromo-4-pyridinyl)amino]butan-1-ol
CID 104777212
N-(4-chloro-1-methoxybutan-2-yl)pyridazin-3-amine
CID 106153817
N-(4-chloro-1-methoxybutan-2-yl)-3-methylpyrazin-2-amine
CID 106154077
3-(1-methoxypentan-2-ylamino)pyridine-4-carboxylic acid
CID 114288736
N'-(3-bromo-4-pyridinyl)-N-(2-methoxyethyl)ethane-1,2-diamine
CID 104777631
3-bromo-N-heptan-2-ylpyridin-4-amine
CID 104776911
3-bromo-N-(2-chloro-1-phenylethyl)pyridin-4-amine
CID 104779436
N-(4-chloro-1-methoxybutan-2-yl)-3-ethoxypyridin-2-amine
CID 106154134
N-(4-chloro-1-methoxybutan-2-yl)quinoxalin-2-amine
CID 114150865
N-(4-chloro-1-methoxybutan-2-yl)-4,6-dimethylpyrimidin-2-amine
CID 106153905

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine?
The IUPAC name of 3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine (CID 106154086) is 3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine?
The canonical SMILES for 3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine is COCC(CCCl)Nc1ccncc1Br.
What is the InChIKey of 3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine?
The InChIKey is NWGKGWALLLGRNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14BrClN2O/c1-15-7-8(2-4-12)14-10-3-5-13-6-9(10)11/h3,5-6,8H,2,4,7H2,1H3,(H,13,14).
What are the key properties of 3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine?
3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine has a molecular weight of 293.59 g/mol, XLogP of 2.90, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-chloro-1-methoxybutan-2-yl)pyridin-4-amine is sourced from PubChem (CID 106154086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).