5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine

C11H15BrN2O — CID 61039267

IUPAC5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
SMILESBrc1ccc(NCCC2CCCO2)nc1
InChIInChI=1S/C11H15BrN2O/c12-9-3-4-11(14-8-9)13-6-5-10-2-1-7-15-10/h3-4,8,10H,1-2,5-7H2,(H,13,14)
InChIKeyBYCOTDMBNVXKPF-UHFFFAOYSA-N
MW271.16 g/mol
LogP2.83
Rot. Bonds4

About 5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine

5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine (PubChem CID 61039267) has the molecular formula C11H15BrN2O and a molecular weight of 271.16 g/mol. Its IUPAC name is 5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
PubChem CID61039267
Molecular FormulaC11H15BrN2O
Molecular Weight271.16 g/mol
Exact Mass270.04
IUPAC Name5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine
SMILESBrc1ccc(NCCC2CCCO2)nc1
InChIInChI=1S/C11H15BrN2O/c12-9-3-4-11(14-8-9)13-6-5-10-2-1-7-15-10/h3-4,8,10H,1-2,5-7H2,(H,13,14)
InChIKeyBYCOTDMBNVXKPF-UHFFFAOYSA-N
XLogP2.83
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.16
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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
5-bromo-N-[3-(oxolan-2-ylmethoxy)propyl]pyridin-2-amine
CID 71871276
5-bromo-N-[2-(oxan-2-yl)ethyl]pyrimidin-2-amine
CID 103990682
2-N-[2-(oxolan-2-yl)ethyl]pyrazine-2,5-diamine
CID 80652214
6-N-[2-(oxolan-2-yl)ethyl]pyridine-2,3,6-triamine
CID 79827367
2,4,6-tribromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 65163343
5-methyl-N-[2-(oxolan-2-yl)ethyl]pyrimidin-2-amine
CID 63208180
6-(ethylamino)-N-[2-(oxolan-2-yl)ethyl]pyridine-3-carboxamide
CID 62176089
5-methyl-N-(oxolan-2-ylmethyl)pyridin-2-amine
CID 43104324
2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181267
[1-(5-bromo-2-pyridinyl)-4-(oxolan-2-yl)butan-2-yl]hydrazine
CID 105334555

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine?
The IUPAC name of 5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine (CID 61039267) is 5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine is Brc1ccc(NCCC2CCCO2)nc1.
What is the InChIKey of 5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine?
The InChIKey is BYCOTDMBNVXKPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrN2O/c12-9-3-4-11(14-8-9)13-6-5-10-2-1-7-15-10/h3-4,8,10H,1-2,5-7H2,(H,13,14).
What are the key properties of 5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine?
5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine has a molecular weight of 271.16 g/mol, XLogP of 2.83, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(oxolan-2-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 61039267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).