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

C12H16BrClN2O — CID 114836813

IUPAC3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESCCN(CC1CCCO1)c1ncc(Cl)cc1Br
InChIInChI=1S/C12H16BrClN2O/c1-2-16(8-10-4-3-5-17-10)12-11(13)6-9(14)7-15-12/h6-7,10H,2-5,8H2,1H3
InChIKeyJDNYRFYCDQAFJH-UHFFFAOYSA-N
MW319.63 g/mol
LogP3.50
Rot. Bonds4

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

3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine (PubChem CID 114836813) has the molecular formula C12H16BrClN2O and a molecular weight of 319.63 g/mol. Its IUPAC name is 3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
PubChem CID114836813
Molecular FormulaC12H16BrClN2O
Molecular Weight319.63 g/mol
Exact Mass318.01
IUPAC Name3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESCCN(CC1CCCO1)c1ncc(Cl)cc1Br
InChIInChI=1S/C12H16BrClN2O/c1-2-16(8-10-4-3-5-17-10)12-11(13)6-9(14)7-15-12/h6-7,10H,2-5,8H2,1H3
InChIKeyJDNYRFYCDQAFJH-UHFFFAOYSA-N
XLogP3.50
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.63
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(chloromethyl)-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 61435099
5-bromo-N-ethyl-3-(methylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282728
5-bromo-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 62000205
2-chloro-N-ethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 79075350
5-bromo-N-ethyl-3-(ethylaminomethyl)-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 62282729
5-amino-6-[ethyl(oxolan-2-ylmethyl)amino]pyridine-3-carboxylic acid
CID 81438909
3-bromo-5-chloro-2-(oxolan-2-ylmethoxy)pyridine
CID 114837569
2-(bromomethyl)-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)aniline
CID 107081294
5-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 114919337
4-N-ethyl-6-N-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 80798901
3-chloro-2-[ethyl(oxolan-2-ylmethyl)amino]pyridine-4-carboxylic acid
CID 107062367
6-chloro-N,2-diethyl-5-methyl-N-(oxolan-2-ylmethyl)pyrimidin-4-amine
CID 80971304

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine (CID 114836813) is 3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine is CCN(CC1CCCO1)c1ncc(Cl)cc1Br.
What is the InChIKey of 3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The InChIKey is JDNYRFYCDQAFJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrClN2O/c1-2-16(8-10-4-3-5-17-10)12-11(13)6-9(14)7-15-12/h6-7,10H,2-5,8H2,1H3.
What are the key properties of 3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine?
3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine has a molecular weight of 319.63 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-chloro-N-ethyl-N-(oxolan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 114836813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).