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

C12H16BrClN2 — CID 106125146

IUPAC5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
SMILESClC1CCCC(CNc2ccc(Br)cn2)C1
InChIInChI=1S/C12H16BrClN2/c13-10-4-5-12(16-8-10)15-7-9-2-1-3-11(14)6-9/h4-5,8-9,11H,1-3,6-7H2,(H,15,16)
InChIKeyUOERHVLYEDDMPC-UHFFFAOYSA-N
MW303.63 g/mol
LogP4.05
Rot. Bonds3

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

5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine (PubChem CID 106125146) has the molecular formula C12H16BrClN2 and a molecular weight of 303.63 g/mol. Its IUPAC name is 5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
PubChem CID106125146
Molecular FormulaC12H16BrClN2
Molecular Weight303.63 g/mol
Exact Mass302.02
IUPAC Name5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
SMILESClC1CCCC(CNc2ccc(Br)cn2)C1
InChIInChI=1S/C12H16BrClN2/c13-10-4-5-12(16-8-10)15-7-9-2-1-3-11(14)6-9/h4-5,8-9,11H,1-3,6-7H2,(H,15,16)
InChIKeyUOERHVLYEDDMPC-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.63
LogP ≤ 54.05
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

5-bromo-N-(thian-3-ylmethyl)pyridin-2-amine
CID 130956227
5-tert-butyl-N-[(3-chlorocyclopentyl)methyl]pyridin-2-amine
CID 106123930
N-[(3-chlorocyclohexyl)methyl]quinoxalin-2-amine
CID 114146705
5-bromo-N-(piperidin-4-ylmethyl)pyridin-2-amine;hydrochloride
CID 71636378
3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
CID 106124986
5-bromo-N-(pyrrolidin-2-ylmethyl)pyridin-2-amine
CID 62542194
5-bromo-N-[[(2R)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266636
5-bromo-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266634
N-[(3-chlorocyclohexyl)methyl]-6-methoxypyrazin-2-amine
CID 106125259
N-[(4-chlorocyclohexyl)methyl]-5-methylpyridin-2-amine
CID 106125721
6-(cyclohexylmethylamino)pyridine-3-carbaldehyde
CID 89101111
5-bromo-N-[(5-methylpiperidin-2-yl)methyl]pyridin-2-amine
CID 76693034

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine (CID 106125146) is 5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine is ClC1CCCC(CNc2ccc(Br)cn2)C1.
What is the InChIKey of 5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine?
The InChIKey is UOERHVLYEDDMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2/c13-10-4-5-12(16-8-10)15-7-9-2-1-3-11(14)6-9/h4-5,8-9,11H,1-3,6-7H2,(H,15,16).
What are the key properties of 5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine?
5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine has a molecular weight of 303.63 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine is sourced from PubChem (CID 106125146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).