[4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol

C7H5Cl2F2NO — CID 118806568

IUPAC[4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol
SMILESOCc1nc(Cl)cc(Cl)c1C(F)F
InChIInChI=1S/C7H5Cl2F2NO/c8-3-1-5(9)12-4(2-13)6(3)7(10)11/h1,7,13H,2H2
InChIKeyKFOOQNIZNSYAAD-UHFFFAOYSA-N
MW228.02 g/mol
LogP2.82
Rot. Bonds2

About [4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol

[4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol (PubChem CID 118806568) has the molecular formula C7H5Cl2F2NO and a molecular weight of 228.02 g/mol. Its IUPAC name is [4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol
PubChem CID118806568
Molecular FormulaC7H5Cl2F2NO
Molecular Weight228.02 g/mol
Exact Mass226.97
IUPAC Name[4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol
SMILESOCc1nc(Cl)cc(Cl)c1C(F)F
InChIInChI=1S/C7H5Cl2F2NO/c8-3-1-5(9)12-4(2-13)6(3)7(10)11/h1,7,13H,2H2
InChIKeyKFOOQNIZNSYAAD-UHFFFAOYSA-N
XLogP2.82
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.02
LogP ≤ 52.82
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

[4,6-dichloro-3-(methylamino)-2-pyridinyl]methanol
CID 169147127
6-chloro-4-(difluoromethyl)-2-(hydroxymethyl)pyridine-3-carbonitrile
CID 130071247
[3-(difluoromethyl)-6-iodo-4-methyl-2-pyridinyl]methanol
CID 130086190
[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 133103764
[4,6-diamino-3-(difluoromethyl)-2-pyridinyl]methanol
CID 118834949
[6-chloro-4-(difluoromethyl)-3-nitro-2-pyridinyl]methanol
CID 130074775
6-(chloromethyl)-3-(difluoromethyl)-2-(hydroxymethyl)pyridine-4-carbonitrile
CID 130079080
[4-chloro-5-(difluoromethyl)-6-iodo-2-pyridinyl]methanol
CID 118845138
4,6-dichloro-3-(difluoromethyl)-2-(trifluoromethyl)pyridine
CID 118846674
6-chloro-2-(chloromethyl)-3-(difluoromethyl)-4-nitropyridine
CID 130074723
methyl 2-[6-chloro-3-(difluoromethyl)-4-methyl-2-pyridinyl]acetate
CID 134662547
[6-bromo-3-(difluoromethyl)-4-nitro-2-pyridinyl]methanol
CID 130069859

Frequently Asked Questions

What is the IUPAC name of [4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol (CID 118806568) is [4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol is OCc1nc(Cl)cc(Cl)c1C(F)F.
What is the InChIKey of [4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol?
The InChIKey is KFOOQNIZNSYAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5Cl2F2NO/c8-3-1-5(9)12-4(2-13)6(3)7(10)11/h1,7,13H,2H2.
What are the key properties of [4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol?
[4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol has a molecular weight of 228.02 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4,6-dichloro-3-(difluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 118806568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).