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

C6H5ClFNO — CID 19791242

IUPAC(4-chloro-3-fluoro-2-pyridinyl)methanol
SMILESOCc1nccc(Cl)c1F
InChIInChI=1S/C6H5ClFNO/c7-4-1-2-9-5(3-10)6(4)8/h1-2,10H,3H2
InChIKeyFWHCEZUYCIKQGH-UHFFFAOYSA-N
MW161.56 g/mol
LogP1.37
Rot. Bonds1

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

(4-chloro-3-fluoro-2-pyridinyl)methanol (PubChem CID 19791242) has the molecular formula C6H5ClFNO and a molecular weight of 161.56 g/mol. Its IUPAC name is (4-chloro-3-fluoro-2-pyridinyl)methanol.

Molecular Properties

Compound Name(4-chloro-3-fluoro-2-pyridinyl)methanol
PubChem CID19791242
Molecular FormulaC6H5ClFNO
Molecular Weight161.56 g/mol
Exact Mass161.00
IUPAC Name(4-chloro-3-fluoro-2-pyridinyl)methanol
SMILESOCc1nccc(Cl)c1F
InChIInChI=1S/C6H5ClFNO/c7-4-1-2-9-5(3-10)6(4)8/h1-2,10H,3H2
InChIKeyFWHCEZUYCIKQGH-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

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Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluoro-2-pyridinyl)methanol?
The IUPAC name of (4-chloro-3-fluoro-2-pyridinyl)methanol (CID 19791242) is (4-chloro-3-fluoro-2-pyridinyl)methanol.
What is the SMILES notation for (4-chloro-3-fluoro-2-pyridinyl)methanol?
The canonical SMILES for (4-chloro-3-fluoro-2-pyridinyl)methanol is OCc1nccc(Cl)c1F.
What is the InChIKey of (4-chloro-3-fluoro-2-pyridinyl)methanol?
The InChIKey is FWHCEZUYCIKQGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClFNO/c7-4-1-2-9-5(3-10)6(4)8/h1-2,10H,3H2.
What are the key properties of (4-chloro-3-fluoro-2-pyridinyl)methanol?
(4-chloro-3-fluoro-2-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 (4-chloro-3-fluoro-2-pyridinyl)methanol is sourced from PubChem (CID 19791242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).