4-bromo-N-(oxan-3-yl)pyridin-2-amine

C10H13BrN2O — CID 130608088

IUPAC4-bromo-N-(oxan-3-yl)pyridin-2-amine
SMILESBrc1ccnc(NC2CCCOC2)c1
InChIInChI=1S/C10H13BrN2O/c11-8-3-4-12-10(6-8)13-9-2-1-5-14-7-9/h3-4,6,9H,1-2,5,7H2,(H,12,13)
InChIKeyGTKRFHNZJYCZAS-UHFFFAOYSA-N
MW257.13 g/mol
LogP2.43
Rot. Bonds2

About 4-bromo-N-(oxan-3-yl)pyridin-2-amine

4-bromo-N-(oxan-3-yl)pyridin-2-amine (PubChem CID 130608088) has the molecular formula C10H13BrN2O and a molecular weight of 257.13 g/mol. Its IUPAC name is 4-bromo-N-(oxan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name4-bromo-N-(oxan-3-yl)pyridin-2-amine
PubChem CID130608088
Molecular FormulaC10H13BrN2O
Molecular Weight257.13 g/mol
Exact Mass256.02
IUPAC Name4-bromo-N-(oxan-3-yl)pyridin-2-amine
SMILESBrc1ccnc(NC2CCCOC2)c1
InChIInChI=1S/C10H13BrN2O/c11-8-3-4-12-10(6-8)13-9-2-1-5-14-7-9/h3-4,6,9H,1-2,5,7H2,(H,12,13)
InChIKeyGTKRFHNZJYCZAS-UHFFFAOYSA-N
XLogP2.43
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
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

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Related Compounds

4-methoxy-N-(oxan-3-yl)pyridin-2-amine
CID 115922910
4-(aminomethyl)-N-(oxan-3-yl)pyridin-2-amine
CID 115025286
4-nitro-N-(oxan-3-yl)pyridin-2-amine
CID 63363722
4-bromo-N-[1-[[(3S)-oxolan-3-yl]methyl]piperidin-4-yl]pyridin-2-amine
CID 124886630
2-N-(oxolan-3-yl)pyridine-2,4-diamine
CID 80717438
N-[(3S)-oxan-3-yl]pyrazin-2-amine
CID 130628778
4-bromo-N-(oxan-3-yl)pyrimidin-2-amine
CID 115048116
1-(4-bromo-2-pyridinyl)-2-cycloheptylhydrazine
CID 178076459
6-methoxy-N-(oxan-3-yl)pyrimidin-4-amine
CID 66327033
N-(2,5-dibromophenyl)oxolan-3-amine
CID 63335357
4-N-[(2S,6R)-2,6-dimethyloxan-4-yl]-6-N-[(3R)-oxan-3-yl]pyrimidine-4,6-diamine
CID 129333350
5-bromo-3-nitro-N-[(3S)-oxan-3-yl]pyridin-2-amine
CID 169093551

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(oxan-3-yl)pyridin-2-amine?
The IUPAC name of 4-bromo-N-(oxan-3-yl)pyridin-2-amine (CID 130608088) is 4-bromo-N-(oxan-3-yl)pyridin-2-amine.
What is the SMILES notation for 4-bromo-N-(oxan-3-yl)pyridin-2-amine?
The canonical SMILES for 4-bromo-N-(oxan-3-yl)pyridin-2-amine is Brc1ccnc(NC2CCCOC2)c1.
What is the InChIKey of 4-bromo-N-(oxan-3-yl)pyridin-2-amine?
The InChIKey is GTKRFHNZJYCZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O/c11-8-3-4-12-10(6-8)13-9-2-1-5-14-7-9/h3-4,6,9H,1-2,5,7H2,(H,12,13).
What are the key properties of 4-bromo-N-(oxan-3-yl)pyridin-2-amine?
4-bromo-N-(oxan-3-yl)pyridin-2-amine has a molecular weight of 257.13 g/mol, XLogP of 2.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(oxan-3-yl)pyridin-2-amine is sourced from PubChem (CID 130608088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).