[3-[(2-chloro-3-fluoro-4-pyridinyl)oxymethyl]oxetan-3-yl]methanol

C10H11ClFNO3 — CID 126837351

IUPAC[3-[(2-chloro-3-fluoro-4-pyridinyl)oxymethyl]oxetan-3-yl]methanol
SMILESOCC1(COc2ccnc(Cl)c2F)COC1
InChIInChI=1S/C10H11ClFNO3/c11-9-8(12)7(1-2-13-9)16-6-10(3-14)4-15-5-10/h1-2,14H,3-6H2
InChIKeyJQRBBXMFVVHSHS-UHFFFAOYSA-N
MW247.65 g/mol
LogP1.26
Rot. Bonds4

About [3-[(2-chloro-3-fluoro-4-pyridinyl)oxymethyl]oxetan-3-yl]methanol

[3-[(2-chloro-3-fluoro-4-pyridinyl)oxymethyl]oxetan-3-yl]methanol (PubChem CID 126837351) has the molecular formula C10H11ClFNO3 and a molecular weight of 247.65 g/mol. Its IUPAC name is [3-[(2-chloro-3-fluoro-4-pyridinyl)oxymethyl]oxetan-3-yl]methanol.

Molecular Properties

Compound Name[3-[(2-chloro-3-fluoro-4-pyridinyl)oxymethyl]oxetan-3-yl]methanol
PubChem CID126837351
Molecular FormulaC10H11ClFNO3
Molecular Weight247.65 g/mol
Exact Mass247.04
IUPAC Name[3-[(2-chloro-3-fluoro-4-pyridinyl)oxymethyl]oxetan-3-yl]methanol
SMILESOCC1(COc2ccnc(Cl)c2F)COC1
InChIInChI=1S/C10H11ClFNO3/c11-9-8(12)7(1-2-13-9)16-6-10(3-14)4-15-5-10/h1-2,14H,3-6H2
InChIKeyJQRBBXMFVVHSHS-UHFFFAOYSA-N
XLogP1.26
TPSA51.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.65
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[3-[(2,4,5-trichlorophenoxy)methyl]oxetan-3-yl]methanol
CID 111975884
[3-[(4-fluoro-2-methylphenoxy)methyl]oxetan-3-yl]methanol
CID 109395254
[3-[(2-iodo-6-methyl-3-pyridinyl)oxymethyl]oxetan-3-yl]methanol
CID 109468888
CID 142556210
CID 142556210
2-chloro-3-fluoro-4-propan-2-yloxypyridine
CID 91620513
1-[2-fluoro-4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]ethanone
CID 111975975
[3-[[2-[1-[(2-fluorophenyl)methyl]indazol-3-yl]-4-(pyridin-4-ylmethyl)pyrimidin-5-yl]oxymethyl]oxetan-3-yl]methanol
CID 160909474
[3-[[2-iodo-6-(trifluoromethyl)phenoxy]methyl]oxetan-3-yl]methanol
CID 100760660
[3-[(3-chloro-4-fluorophenyl)methyl]oxetan-3-yl]methanol
CID 116930381
[3-(hydroxymethyl)oxetan-3-yl]methanol;[3-(phenylmethoxymethyl)oxetan-3-yl]methanol
CID 159973315
2-chloropyrimidin-4-amine;(3-methyloxetan-3-yl)methanol;2-[(3-methyloxetan-3-yl)methoxy]pyrimidin-4-amine
CID 159790674
methyl 2-[4-[[3-(hydroxymethyl)oxetan-3-yl]methoxy]phenyl]acetate
CID 71854632

Frequently Asked Questions

What is the IUPAC name of [3-[(2-chloro-3-fluoro-4-pyridinyl)oxymethyl]oxetan-3-yl]methanol?
The IUPAC name of [3-[(2-chloro-3-fluoro-4-pyridinyl)oxymethyl]oxetan-3-yl]methanol (CID 126837351) is [3-[(2-chloro-3-fluoro-4-pyridinyl)oxymethyl]oxetan-3-yl]methanol.
What is the SMILES notation for [3-[(2-chloro-3-fluoro-4-pyridinyl)oxymethyl]oxetan-3-yl]methanol?
The canonical SMILES for [3-[(2-chloro-3-fluoro-4-pyridinyl)oxymethyl]oxetan-3-yl]methanol is OCC1(COc2ccnc(Cl)c2F)COC1.
What is the InChIKey of [3-[(2-chloro-3-fluoro-4-pyridinyl)oxymethyl]oxetan-3-yl]methanol?
The InChIKey is JQRBBXMFVVHSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFNO3/c11-9-8(12)7(1-2-13-9)16-6-10(3-14)4-15-5-10/h1-2,14H,3-6H2.
What are the key properties of [3-[(2-chloro-3-fluoro-4-pyridinyl)oxymethyl]oxetan-3-yl]methanol?
[3-[(2-chloro-3-fluoro-4-pyridinyl)oxymethyl]oxetan-3-yl]methanol has a molecular weight of 247.65 g/mol, XLogP of 1.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(2-chloro-3-fluoro-4-pyridinyl)oxymethyl]oxetan-3-yl]methanol is sourced from PubChem (CID 126837351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).