(2-chloro-3-fluoro-4-pyridinyl)methanol

C6H5ClFNO — CID 54759140

IUPAC(2-chloro-3-fluoro-4-pyridinyl)methanol
SMILESOCc1ccnc(Cl)c1F
InChIInChI=1S/C6H5ClFNO/c7-6-5(8)4(3-10)1-2-9-6/h1-2,10H,3H2
InChIKeyGMUIRRXRGQQTNZ-UHFFFAOYSA-N
MW161.56 g/mol
LogP1.37
Rot. Bonds1

About (2-chloro-3-fluoro-4-pyridinyl)methanol

(2-chloro-3-fluoro-4-pyridinyl)methanol (PubChem CID 54759140) has the molecular formula C6H5ClFNO and a molecular weight of 161.56 g/mol. Its IUPAC name is (2-chloro-3-fluoro-4-pyridinyl)methanol.

Molecular Properties

Compound Name(2-chloro-3-fluoro-4-pyridinyl)methanol
PubChem CID54759140
Molecular FormulaC6H5ClFNO
Molecular Weight161.56 g/mol
Exact Mass161.00
IUPAC Name(2-chloro-3-fluoro-4-pyridinyl)methanol
SMILESOCc1ccnc(Cl)c1F
InChIInChI=1S/C6H5ClFNO/c7-6-5(8)4(3-10)1-2-9-6/h1-2,10H,3H2
InChIKeyGMUIRRXRGQQTNZ-UHFFFAOYSA-N
XLogP1.37
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.56
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Pyridinemethanol
CID 7510
4-Hydroxymethylpyridine
CID 11472
(4-Methylpyridin-3-yl)methanol
CID 232487
(2-Chloropyridin-4-yl)methanol
CID 7062237
(6-Chloropyridin-3-yl)methanol
CID 177161
(4-Chloropyridin-2-yl)methanol
CID 2763167
(2-Chloropyridin-3-yl)methanol
CID 2763647
Nicotinyl alcohol hydrofluoride
CID 20333624
4-Pyridylmethanol N-oxide
CID 89666
alpha-Methyl-4-pyridinemethanol
CID 90919
(S)-(-)-alpha-Methyl-4-pyridinemethanol
CID 10920507
(1R)-1-(pyridin-4-yl)ethan-1-ol
CID 11804747

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluoro-4-pyridinyl)methanol?
The IUPAC name of (2-chloro-3-fluoro-4-pyridinyl)methanol (CID 54759140) is (2-chloro-3-fluoro-4-pyridinyl)methanol.
What is the SMILES notation for (2-chloro-3-fluoro-4-pyridinyl)methanol?
The canonical SMILES for (2-chloro-3-fluoro-4-pyridinyl)methanol is OCc1ccnc(Cl)c1F.
What is the InChIKey of (2-chloro-3-fluoro-4-pyridinyl)methanol?
The InChIKey is GMUIRRXRGQQTNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO/c7-6-5(8)4(3-10)1-2-9-6/h1-2,10H,3H2.
What are the key properties of (2-chloro-3-fluoro-4-pyridinyl)methanol?
(2-chloro-3-fluoro-4-pyridinyl)methanol has a molecular weight of 161.56 g/mol, XLogP of 1.37, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-fluoro-4-pyridinyl)methanol is sourced from PubChem (CID 54759140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).