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

C11H14BrClN2O — CID 103580137

IUPAC5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine
SMILESClc1cc(Br)cnc1NCC1CCCCO1
InChIInChI=1S/C11H14BrClN2O/c12-8-5-10(13)11(14-6-8)15-7-9-3-1-2-4-16-9/h5-6,9H,1-4,7H2,(H,14,15)
InChIKeyRIYKCDGICGZRRA-UHFFFAOYSA-N
MW305.60 g/mol
LogP3.48
Rot. Bonds3

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

5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine (PubChem CID 103580137) has the molecular formula C11H14BrClN2O and a molecular weight of 305.60 g/mol. Its IUPAC name is 5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine
PubChem CID103580137
Molecular FormulaC11H14BrClN2O
Molecular Weight305.60 g/mol
Exact Mass304.00
IUPAC Name5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine
SMILESClc1cc(Br)cnc1NCC1CCCCO1
InChIInChI=1S/C11H14BrClN2O/c12-8-5-10(13)11(14-6-8)15-7-9-3-1-2-4-16-9/h5-6,9H,1-4,7H2,(H,14,15)
InChIKeyRIYKCDGICGZRRA-UHFFFAOYSA-N
XLogP3.48
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 ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-2,6-dichloro-N-(oxan-2-ylmethyl)aniline
CID 43591868
3,5,6-trichloro-N-(oxan-2-ylmethyl)pyridin-2-amine
CID 102750819
5-bromo-3-chloro-N-[[2-(chloromethyl)cyclopentyl]methyl]pyridin-2-amine
CID 103584118
3-bromo-N-(oxan-2-ylmethyl)quinolin-8-amine
CID 116784263
5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine
CID 103582514
5-bromo-3-chloro-N-(piperidin-4-ylmethyl)pyridin-2-amine
CID 103582744
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
3,6-dimethyl-N-(oxan-2-ylmethyl)pyrazin-2-amine
CID 65419059
4-bromo-2-chloro-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406363
2,5-dichloro-4-methyl-N-(oxan-2-ylmethyl)aniline
CID 104726778
3-methyl-2-N-(oxolan-2-ylmethyl)pyridine-2,5-diamine
CID 62476856

Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine (CID 103580137) is 5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine is Clc1cc(Br)cnc1NCC1CCCCO1.
What is the InChIKey of 5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine?
The InChIKey is RIYKCDGICGZRRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClN2O/c12-8-5-10(13)11(14-6-8)15-7-9-3-1-2-4-16-9/h5-6,9H,1-4,7H2,(H,14,15).
What are the key properties of 5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine?
5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine has a molecular weight of 305.60 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-chloro-N-(oxan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 103580137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).