[3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol

C10H13BrN2O2 — CID 130948421

IUPAC[3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol
SMILESOCC1(Nc2ncccc2Br)CCOC1
InChIInChI=1S/C10H13BrN2O2/c11-8-2-1-4-12-9(8)13-10(6-14)3-5-15-7-10/h1-2,4,14H,3,5-7H2,(H,12,13)
InChIKeyOFGPBXGDBSWPLZ-UHFFFAOYSA-N
MW273.13 g/mol
LogP1.41
Rot. Bonds3

About [3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol

[3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol (PubChem CID 130948421) has the molecular formula C10H13BrN2O2 and a molecular weight of 273.13 g/mol. Its IUPAC name is [3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol
PubChem CID130948421
Molecular FormulaC10H13BrN2O2
Molecular Weight273.13 g/mol
Exact Mass272.02
IUPAC Name[3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol
SMILESOCC1(Nc2ncccc2Br)CCOC1
InChIInChI=1S/C10H13BrN2O2/c11-8-2-1-4-12-9(8)13-10(6-14)3-5-15-7-10/h1-2,4,14H,3,5-7H2,(H,12,13)
InChIKeyOFGPBXGDBSWPLZ-UHFFFAOYSA-N
XLogP1.41
TPSA54.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.13
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine
CID 106300053
[4-[(5-bromopyrimidin-4-yl)amino]oxan-4-yl]methanol
CID 106299315
[3-(pyridin-4-ylamino)oxolan-3-yl]methanol
CID 130834966
N-[4-(aminomethyl)oxan-4-yl]-3-methylpyridin-2-amine
CID 106298028
2-[[1-(hydroxymethyl)cyclopentyl]amino]pyridine-3-carboxamide
CID 55082636
[1-[(3-nitro-2-pyridinyl)amino]cyclobutyl]methanol
CID 115731831
[4-(2-aminoanilino)oxan-4-yl]methanol
CID 106296850
2-[(3-bromo-2-pyridinyl)amino]ethanol
CID 61374645
3-bromo-4-[[4-(hydroxymethyl)oxan-4-yl]amino]benzonitrile
CID 114170315
[1-[(3-methylsulfonyl-2-pyridinyl)amino]cyclohexyl]methanol
CID 114598842
3-bromo-2-[[3-(bromomethyl)oxolan-3-yl]methyl]pyridine
CID 130576386
[4-[(4-chloro-1,2,5-thiadiazol-3-yl)amino]oxan-4-yl]methanol
CID 106300603

Frequently Asked Questions

What is the IUPAC name of [3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol?
The IUPAC name of [3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol (CID 130948421) is [3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol.
What is the SMILES notation for [3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol?
The canonical SMILES for [3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol is OCC1(Nc2ncccc2Br)CCOC1.
What is the InChIKey of [3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol?
The InChIKey is OFGPBXGDBSWPLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrN2O2/c11-8-2-1-4-12-9(8)13-10(6-14)3-5-15-7-10/h1-2,4,14H,3,5-7H2,(H,12,13).
What are the key properties of [3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol?
[3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol has a molecular weight of 273.13 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol is sourced from PubChem (CID 130948421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).