6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine

C10H13BrN2O — CID 63961095

IUPAC6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESBrc1cccc(NCC2CCCO2)n1
InChIInChI=1S/C10H13BrN2O/c11-9-4-1-5-10(13-9)12-7-8-3-2-6-14-8/h1,4-5,8H,2-3,6-7H2,(H,12,13)
InChIKeyFWXUOVUBFYVKAG-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.43
Rot. Bonds3

About 6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine

6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine (PubChem CID 63961095) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine.

Molecular Properties

Compound Name6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
PubChem CID63961095
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine
SMILESBrc1cccc(NCC2CCCO2)n1
InChIInChI=1S/C10H13BrN2O/c11-9-4-1-5-10(13-9)12-7-8-3-2-6-14-8/h1,4-5,8H,2-3,6-7H2,(H,12,13)
InChIKeyFWXUOVUBFYVKAG-UHFFFAOYSA-N
XLogP2.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.13
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(6-bromo-2-pyridinyl)-2-(oxolan-2-yl)acetamide
CID 47461932
6-[[(2S)-oxolan-2-yl]methylamino]pyridine-2-carboxylic acid
CID 94378458
6-bromo-N-(oxan-3-ylmethyl)pyridin-2-amine
CID 63960908
6-bromo-N-(cyclopentylmethyl)pyridin-2-amine
CID 63963007
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
4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 80772162
3-bromo-N-(oxolan-2-ylmethyl)aniline
CID 43179930
N-[[(2R)-oxolan-2-yl]methyl]quinoxalin-2-amine
CID 33370324
4-N,6-N-bis(oxolan-2-ylmethyl)pyrimidine-4,6-diamine
CID 112857188
2-bromo-6-fluoro-N-(oxolan-2-ylmethyl)aniline
CID 107598059
6-N-(oxan-2-ylmethyl)pyridine-2,3,6-triamine
CID 79825613

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The IUPAC name of 6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine (CID 63961095) is 6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine.
What is the SMILES notation for 6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The canonical SMILES for 6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine is Brc1cccc(NCC2CCCO2)n1.
What is the InChIKey of 6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine?
The InChIKey is FWXUOVUBFYVKAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-9-4-1-5-10(13-9)12-7-8-3-2-6-14-8/h1,4-5,8H,2-3,6-7H2,(H,12,13).
What are the key properties of 6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine?
6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine has a molecular weight of 257.13 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(oxolan-2-ylmethyl)pyridin-2-amine is sourced from PubChem (CID 63961095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).