3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine

C11H16BrClN2 — CID 107205426

IUPAC3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine
SMILESCN(CCCCCCl)c1ccncc1Br
InChIInChI=1S/C11H16BrClN2/c1-15(8-4-2-3-6-13)11-5-7-14-9-10(11)12/h5,7,9H,2-4,6,8H2,1H3
InChIKeyUZSDNGXYQNKCBW-UHFFFAOYSA-N
MW291.62 g/mol
LogP3.69
Rot. Bonds6

About 3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine

3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine (PubChem CID 107205426) has the molecular formula C11H16BrClN2 and a molecular weight of 291.62 g/mol. Its IUPAC name is 3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine.

Molecular Properties

Compound Name3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine
PubChem CID107205426
Molecular FormulaC11H16BrClN2
Molecular Weight291.62 g/mol
Exact Mass290.02
IUPAC Name3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine
SMILESCN(CCCCCCl)c1ccncc1Br
InChIInChI=1S/C11H16BrClN2/c1-15(8-4-2-3-6-13)11-5-7-14-9-10(11)12/h5,7,9H,2-4,6,8H2,1H3
InChIKeyUZSDNGXYQNKCBW-UHFFFAOYSA-N
XLogP3.69
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.62
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-N-(5-chloropentyl)-N-methylpyrimidin-4-amine
CID 107205369
N-(5-chloropentyl)-N-methylpyridin-4-amine
CID 107205359
3-bromo-N-methyl-N-(2,2,2-trifluoroethyl)pyridin-4-amine
CID 104778120
N-(5-chloropentyl)-N-methylpyrimidin-4-amine
CID 107205392
3-bromo-N-methyl-N-prop-2-ynylpyridin-4-amine
CID 104778581
3-bromo-N-(2-chloroethyl)-N-(2,2-difluoroethyl)pyridin-4-amine
CID 107490053
N-(5-chloropentyl)-N-methyl-2-(trifluoromethyl)aniline
CID 107205331
3-bromo-4-(3-chloropropylsulfanyl)pyridine
CID 104777345
3-(aminomethyl)-N-methyl-N-pentylpyridin-4-amine
CID 81248532
3-bromo-N-(2-bromoethyl)-N-propylpyridin-4-amine
CID 104779492
4-bromo-N,N-dimethylpyridin-3-amine
CID 23436877
3-chloro-N-(5-chloropentyl)-N-methylpyridin-2-amine
CID 107205302

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine?
The IUPAC name of 3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine (CID 107205426) is 3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine.
What is the SMILES notation for 3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine?
The canonical SMILES for 3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine is CN(CCCCCCl)c1ccncc1Br.
What is the InChIKey of 3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine?
The InChIKey is UZSDNGXYQNKCBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrClN2/c1-15(8-4-2-3-6-13)11-5-7-14-9-10(11)12/h5,7,9H,2-4,6,8H2,1H3.
What are the key properties of 3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine?
3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine has a molecular weight of 291.62 g/mol, XLogP of 3.69, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(5-chloropentyl)-N-methylpyridin-4-amine is sourced from PubChem (CID 107205426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).