3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine

C12H15BrCl2N2 — CID 114838596

IUPAC3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine
SMILESClc1cnc(NC2CCCCCC2Cl)c(Br)c1
InChIInChI=1S/C12H15BrCl2N2/c13-9-6-8(14)7-16-12(9)17-11-5-3-1-2-4-10(11)15/h6-7,10-11H,1-5H2,(H,16,17)
InChIKeyDEKVWIAAGPEKKT-UHFFFAOYSA-N
MW338.08 g/mol
LogP4.85
Rot. Bonds2

About 3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine

3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine (PubChem CID 114838596) has the molecular formula C12H15BrCl2N2 and a molecular weight of 338.08 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine
PubChem CID114838596
Molecular FormulaC12H15BrCl2N2
Molecular Weight338.08 g/mol
Exact Mass335.98
IUPAC Name3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine
SMILESClc1cnc(NC2CCCCCC2Cl)c(Br)c1
InChIInChI=1S/C12H15BrCl2N2/c13-9-6-8(14)7-16-12(9)17-11-5-3-1-2-4-10(11)15/h6-7,10-11H,1-5H2,(H,16,17)
InChIKeyDEKVWIAAGPEKKT-UHFFFAOYSA-N
XLogP4.85
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.08
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-chloro-N-(2,2-dimethylcyclobutyl)pyridin-2-amine
CID 130556048
3-bromo-5-chloro-N-cyclohex-3-en-1-ylpyridin-2-amine
CID 114835973
[3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol
CID 164654299
3,5-dichloro-N-cyclooctylpyridin-2-amine
CID 28517961
3-bromo-5-chloro-N-(cyclopropylmethyl)pyridin-2-amine
CID 114835596
N-(2-chlorocyclohexyl)-3,6-dimethylpyrazin-2-amine
CID 65029238
trans-(1R,2R)-2-N-(5-chloro-3-fluoro-2-pyridinyl)cyclohexane-1,2-diamine
CID 102738799
3-bromo-5-chloro-N-methylpyridin-2-amine
CID 51356623
3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
CID 106124986
3-[(3-bromo-5-chloro-2-pyridinyl)amino]piperidine-2,6-dione
CID 114835980
3-bromo-5-chloro-N-(2-chlorocyclohexyl)-N-methylpyridin-2-amine
CID 102637773
3,5-dichloro-N-(2-methylcyclopentyl)pyridin-2-amine
CID 63281875

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine (CID 114838596) is 3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine is Clc1cnc(NC2CCCCCC2Cl)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine?
The InChIKey is DEKVWIAAGPEKKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrCl2N2/c13-9-6-8(14)7-16-12(9)17-11-5-3-1-2-4-10(11)15/h6-7,10-11H,1-5H2,(H,16,17).
What are the key properties of 3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine?
3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine has a molecular weight of 338.08 g/mol, XLogP of 4.85, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(2-chlorocycloheptyl)pyridin-2-amine is sourced from PubChem (CID 114838596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).