[2-chloro-6-(difluoromethyl)-3-pyridinyl]methanol

C7H6ClF2NO — CID 119014933

IUPAC[2-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
SMILESOCc1ccc(C(F)F)nc1Cl
InChIInChI=1S/C7H6ClF2NO/c8-6-4(3-12)1-2-5(11-6)7(9)10/h1-2,7,12H,3H2
InChIKeyUNVIFFMJFKLMAW-UHFFFAOYSA-N
MW193.58 g/mol
LogP2.16
Rot. Bonds2

About [2-chloro-6-(difluoromethyl)-3-pyridinyl]methanol

[2-chloro-6-(difluoromethyl)-3-pyridinyl]methanol (PubChem CID 119014933) has the molecular formula C7H6ClF2NO and a molecular weight of 193.58 g/mol. Its IUPAC name is [2-chloro-6-(difluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
PubChem CID119014933
Molecular FormulaC7H6ClF2NO
Molecular Weight193.58 g/mol
Exact Mass193.01
IUPAC Name[2-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
SMILESOCc1ccc(C(F)F)nc1Cl
InChIInChI=1S/C7H6ClF2NO/c8-6-4(3-12)1-2-5(11-6)7(9)10/h1-2,7,12H,3H2
InChIKeyUNVIFFMJFKLMAW-UHFFFAOYSA-N
XLogP2.16
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.58
LogP ≤ 52.16
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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Frequently Asked Questions

What is the IUPAC name of [2-chloro-6-(difluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [2-chloro-6-(difluoromethyl)-3-pyridinyl]methanol (CID 119014933) is [2-chloro-6-(difluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-chloro-6-(difluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-chloro-6-(difluoromethyl)-3-pyridinyl]methanol is OCc1ccc(C(F)F)nc1Cl.
What is the InChIKey of [2-chloro-6-(difluoromethyl)-3-pyridinyl]methanol?
The InChIKey is UNVIFFMJFKLMAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO/c8-6-4(3-12)1-2-5(11-6)7(9)10/h1-2,7,12H,3H2.
What are the key properties of [2-chloro-6-(difluoromethyl)-3-pyridinyl]methanol?
[2-chloro-6-(difluoromethyl)-3-pyridinyl]methanol has a molecular weight of 193.58 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-6-(difluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 119014933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).