3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine

C12H15BrCl2N2 — CID 106124986

IUPAC3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
SMILESClc1cnc(NCC2CCCC(Cl)C2)c(Br)c1
InChIInChI=1S/C12H15BrCl2N2/c13-11-5-10(15)7-17-12(11)16-6-8-2-1-3-9(14)4-8/h5,7-9H,1-4,6H2,(H,16,17)
InChIKeyZKFCFZWUZSOVRC-UHFFFAOYSA-N
MW338.08 g/mol
LogP4.71
Rot. Bonds3

About 3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine

3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine (PubChem CID 106124986) has the molecular formula C12H15BrCl2N2 and a molecular weight of 338.08 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
PubChem CID106124986
Molecular FormulaC12H15BrCl2N2
Molecular Weight338.08 g/mol
Exact Mass335.98
IUPAC Name3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
SMILESClc1cnc(NCC2CCCC(Cl)C2)c(Br)c1
InChIInChI=1S/C12H15BrCl2N2/c13-11-5-10(15)7-17-12(11)16-6-8-2-1-3-9(14)4-8/h5,7-9H,1-4,6H2,(H,16,17)
InChIKeyZKFCFZWUZSOVRC-UHFFFAOYSA-N
XLogP4.71
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.08
LogP ≤ 54.71
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-(cyclopropylmethyl)pyridin-2-amine
CID 114835596
3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 114835731
3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine
CID 130965117
5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
CID 106125146
3-bromo-N-(cyclohexylmethyl)-5-methylpyridin-2-amine
CID 105366700
3-bromo-5-chloro-N-ethylpyridin-2-amine
CID 114835594
3,5-dibromo-N-[(3-methylcyclopentyl)methyl]pyridin-2-amine
CID 107413889
[3-[(3-bromo-5-chloro-2-pyridinyl)amino]cyclobutyl]methanol
CID 164654299
3-bromo-5-chloro-N-[(1,4-dimethylpiperazin-2-yl)methyl]pyridin-2-amine
CID 114835915
5-bromo-N-(cyclobutylmethyl)pyrimidin-4-amine
CID 66341211
3-bromo-5-chloro-N-(3-chloropropyl)pyridin-2-amine
CID 114838460
N'-(3-bromo-5-chloro-2-pyridinyl)ethane-1,2-diamine
CID 114835533

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine (CID 106124986) is 3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine is Clc1cnc(NCC2CCCC(Cl)C2)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine?
The InChIKey is ZKFCFZWUZSOVRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrCl2N2/c13-11-5-10(15)7-17-12(11)16-6-8-2-1-3-9(14)4-8/h5,7-9H,1-4,6H2,(H,16,17).
What are the key properties of 3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine?
3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine has a molecular weight of 338.08 g/mol, XLogP of 4.71, 3 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-[(3-chlorocyclohexyl)methyl]pyridin-2-amine is sourced from PubChem (CID 106124986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).