1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol

C7H6ClF2NO — CID 131509867

IUPAC1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol
SMILESOC(c1ccc(Cl)nc1)C(F)F
InChIInChI=1S/C7H6ClF2NO/c8-5-2-1-4(3-11-5)6(12)7(9)10/h1-3,6-7,12H
InChIKeyJPZMTTNLWDHMTQ-UHFFFAOYSA-N
MW193.58 g/mol
LogP2.03
Rot. Bonds2

About 1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol

1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol (PubChem CID 131509867) has the molecular formula C7H6ClF2NO and a molecular weight of 193.58 g/mol. Its IUPAC name is 1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol.

Molecular Properties

Compound Name1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol
PubChem CID131509867
Molecular FormulaC7H6ClF2NO
Molecular Weight193.58 g/mol
Exact Mass193.01
IUPAC Name1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol
SMILESOC(c1ccc(Cl)nc1)C(F)F
InChIInChI=1S/C7H6ClF2NO/c8-5-2-1-4(3-11-5)6(12)7(9)10/h1-3,6-7,12H
InChIKeyJPZMTTNLWDHMTQ-UHFFFAOYSA-N
XLogP2.03
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 ≤ 52.03
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-(6-chloro-3-pyridinyl)-2,3-dihydroxypropanoic acid
CID 170823447
3-amino-1-(6-chloro-3-pyridinyl)propane-1,2-diol
CID 170827531
4-chloro-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171893265
4-amino-1-(6-chloro-3-pyridinyl)butane-1,2-diol
CID 171880722
2-chloro-5-(1,2,2,2-tetrafluoroethyl)pyridine
CID 139022718
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine
CID 130606280
1-(6-chloro-3-pyridinyl)-2-(3,5-difluorophenyl)ethanol
CID 105405774
(1R)-1-(6-chloro-3-pyridinyl)-2-fluoroethanamine;hydrochloride
CID 171218295
(1S)-1-(6-chloro-3-pyridinyl)-2,2,2-trifluoroethanamine
CID 97290350
2-chloro-4-(2,2-difluoro-1-hydroxyethyl)phenol
CID 80605831
1-(6-chloro-3-pyridinyl)-3-methylbutane-1,2-diamine
CID 131049185
3-(6-chloro-3-pyridinyl)butan-2-one
CID 59396961

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol?
The IUPAC name of 1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol (CID 131509867) is 1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol.
What is the SMILES notation for 1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol?
The canonical SMILES for 1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol is OC(c1ccc(Cl)nc1)C(F)F.
What is the InChIKey of 1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol?
The InChIKey is JPZMTTNLWDHMTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2NO/c8-5-2-1-4(3-11-5)6(12)7(9)10/h1-3,6-7,12H.
What are the key properties of 1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol?
1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol has a molecular weight of 193.58 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-3-pyridinyl)-2,2-difluoroethanol is sourced from PubChem (CID 131509867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).