3-[(5-bromo-3-chloro-2-pyridinyl)oxy]cyclohexan-1-amine

C11H14BrClN2O — CID 103583993

IUPAC3-[(5-bromo-3-chloro-2-pyridinyl)oxy]cyclohexan-1-amine
SMILESNC1CCCC(Oc2ncc(Br)cc2Cl)C1
InChIInChI=1S/C11H14BrClN2O/c12-7-4-10(13)11(15-6-7)16-9-3-1-2-8(14)5-9/h4,6,8-9H,1-3,5,14H2
InChIKeyRMGMRHFIECAMRR-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.15
Rot. Bonds2

About 3-[(5-bromo-3-chloro-2-pyridinyl)oxy]cyclohexan-1-amine

3-[(5-bromo-3-chloro-2-pyridinyl)oxy]cyclohexan-1-amine (PubChem CID 103583993) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 3-[(5-bromo-3-chloro-2-pyridinyl)oxy]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[(5-bromo-3-chloro-2-pyridinyl)oxy]cyclohexan-1-amine
PubChem CID103583993
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name3-[(5-bromo-3-chloro-2-pyridinyl)oxy]cyclohexan-1-amine
SMILESNC1CCCC(Oc2ncc(Br)cc2Cl)C1
InChIInChI=1S/C11H14BrClN2O/c12-7-4-10(13)11(15-6-7)16-9-3-1-2-8(14)5-9/h4,6,8-9H,1-3,5,14H2
InChIKeyRMGMRHFIECAMRR-UHFFFAOYSA-N
XLogP3.15
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(5-chloro-3-fluoro-2-pyridinyl)oxy]cyclopentan-1-amine
CID 79734556
3-[(5-chloro-2-pyridinyl)oxy]cyclohexan-1-amine
CID 79465841
(5-bromo-2-cyclopentyloxy-3-pyridinyl)methanol
CID 62000006
3-bromo-5-chloro-2-(3-methoxycyclohexyl)oxypyridine
CID 114837770
3-(6-methylthieno[2,3-d]pyrimidin-4-yl)oxycyclohexan-1-amine
CID 79465530
3-(5-bromopyrimidin-4-yl)oxycyclopentan-1-amine
CID 79465626
2-(3-aminocyclohexyl)oxy-5-nitropyridine-3-carbonitrile
CID 79464691
5-chloro-6-cyclohexyloxypyridine-3-carbaldehyde
CID 131539537
5-bromo-3-(chloromethyl)-2-(oxan-4-yloxy)pyridine
CID 62001160
5-chloro-6-cyclopentyloxypyridine-3-carboxylic acid
CID 16796007
4-(5-bromo-2-cyclohexyloxy-3-pyridinyl)morpholine
CID 167395778
3-(5,6-dimethylpyrazin-2-yl)oxycyclohexan-1-amine
CID 114477112

Frequently Asked Questions

What is the IUPAC name of 3-[(5-bromo-3-chloro-2-pyridinyl)oxy]cyclohexan-1-amine?
The IUPAC name of 3-[(5-bromo-3-chloro-2-pyridinyl)oxy]cyclohexan-1-amine (CID 103583993) is 3-[(5-bromo-3-chloro-2-pyridinyl)oxy]cyclohexan-1-amine.
What is the SMILES notation for 3-[(5-bromo-3-chloro-2-pyridinyl)oxy]cyclohexan-1-amine?
The canonical SMILES for 3-[(5-bromo-3-chloro-2-pyridinyl)oxy]cyclohexan-1-amine is NC1CCCC(Oc2ncc(Br)cc2Cl)C1.
What is the InChIKey of 3-[(5-bromo-3-chloro-2-pyridinyl)oxy]cyclohexan-1-amine?
The InChIKey is RMGMRHFIECAMRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c12-7-4-10(13)11(15-6-7)16-9-3-1-2-8(14)5-9/h4,6,8-9H,1-3,5,14H2.
What are the key properties of 3-[(5-bromo-3-chloro-2-pyridinyl)oxy]cyclohexan-1-amine?
3-[(5-bromo-3-chloro-2-pyridinyl)oxy]cyclohexan-1-amine has a molecular weight of 305.60 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-bromo-3-chloro-2-pyridinyl)oxy]cyclohexan-1-amine is sourced from PubChem (CID 103583993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).