3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine

C11H14BrClN2O — CID 114835731

IUPAC3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
SMILESClc1cnc(NCC2CCCOC2)c(Br)c1
InChIInChI=1S/C11H14BrClN2O/c12-10-4-9(13)6-15-11(10)14-5-8-2-1-3-16-7-8/h4,6,8H,1-3,5,7H2,(H,14,15)
InChIKeyMJUVSGFNTCTYLK-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.34
Rot. Bonds3

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

3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine (PubChem CID 114835731) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
PubChem CID114835731
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
SMILESClc1cnc(NCC2CCCOC2)c(Br)c1
InChIInChI=1S/C11H14BrClN2O/c12-10-4-9(13)6-15-11(10)14-5-8-2-1-3-16-7-8/h4,6,8H,1-3,5,7H2,(H,14,15)
InChIKeyMJUVSGFNTCTYLK-UHFFFAOYSA-N
XLogP3.34
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.60
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-2-N-(oxan-3-ylmethyl)pyridine-2,5-diamine
CID 79535173
3-bromo-5-chloro-N-(cyclopropylmethyl)pyridin-2-amine
CID 114835596
3-bromo-5-chloro-N-[(3-chlorocyclohexyl)methyl]pyridin-2-amine
CID 106124986
3-bromo-5-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 105366780
5-bromo-N-(oxan-3-ylmethyl)-3-(trifluoromethyl)pyridin-2-amine
CID 106796021
3,5,6-trichloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 102750873
5-chloro-4-N-(oxan-3-ylmethyl)pyrimidine-2,4-diamine
CID 80813611
3-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 61020967
3-bromo-5-chloro-N-[[(1R,2R)-2-ethylcyclopropyl]methyl]pyridin-2-amine
CID 130965117
5-bromo-2-chloro-N-(oxan-3-ylmethyl)aniline
CID 63740223
5-bromo-2-N-(oxolan-3-ylmethyl)pyridine-2,3-diamine
CID 62823635
5-bromo-3-methyl-N-(oxolan-3-ylmethyl)pyridin-2-amine
CID 79718882

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine (CID 114835731) is 3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine is Clc1cnc(NCC2CCCOC2)c(Br)c1.
What is the InChIKey of 3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine?
The InChIKey is MJUVSGFNTCTYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c12-10-4-9(13)6-15-11(10)14-5-8-2-1-3-16-7-8/h4,6,8H,1-3,5,7H2,(H,14,15).
What are the key properties of 3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine?
3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine has a molecular weight of 305.60 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-(oxan-3-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 114835731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).