4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol

C7H5ClF3NO — CID 130079502

IUPAC4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
SMILESOc1c(CCl)cc(C(F)F)nc1F
InChIInChI=1S/C7H5ClF3NO/c8-2-3-1-4(6(9)10)12-7(11)5(3)13/h1,6,13H,2H2
InChIKeyNINNCWMVJLHPMT-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.60
Rot. Bonds2

About 4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol

4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol (PubChem CID 130079502) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is 4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol.

Molecular Properties

Compound Name4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
PubChem CID130079502
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol
SMILESOc1c(CCl)cc(C(F)F)nc1F
InChIInChI=1S/C7H5ClF3NO/c8-2-3-1-4(6(9)10)12-7(11)5(3)13/h1,6,13H,2H2
InChIKeyNINNCWMVJLHPMT-UHFFFAOYSA-N
XLogP2.60
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.57
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol
CID 130072471
[4-(chloromethyl)-6-(difluoromethyl)-2-fluoro-3-pyridinyl]methanol
CID 130082233
4-(chloromethyl)-6-(difluoromethyl)-3-fluoropyridine-2-carbaldehyde
CID 130082275
3-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine-2-carbaldehyde
CID 130075614
3-bromo-2-chloro-4-(chloromethyl)-6-(difluoromethyl)pyridine
CID 130108097
4-(chloromethyl)-2-(difluoromethyl)-6-(hydroxymethyl)pyridin-3-ol
CID 130085164
6-(difluoromethyl)-2-fluoro-4-methoxypyridin-3-ol
CID 130079256
6-(difluoromethyl)-2-fluoro-3-hydroxypyridine-4-carboxylic acid
CID 130079649
4-(aminomethyl)-2-chloro-6-(difluoromethyl)pyridin-3-ol
CID 130072411
[6-(difluoromethyl)-2-fluoro-3-(trifluoromethyl)-4-pyridinyl]methanol
CID 133104348
2-[4-(chloromethyl)-6-(difluoromethyl)-3-methyl-2-pyridinyl]acetic acid
CID 130090627
4-(chloromethyl)-6-(difluoromethyl)-3-iodo-2-(trifluoromethyl)pyridine
CID 130087399

Frequently Asked Questions

What is the IUPAC name of 4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol?
The IUPAC name of 4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol (CID 130079502) is 4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol.
What is the SMILES notation for 4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol?
The canonical SMILES for 4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol is Oc1c(CCl)cc(C(F)F)nc1F.
What is the InChIKey of 4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol?
The InChIKey is NINNCWMVJLHPMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c8-2-3-1-4(6(9)10)12-7(11)5(3)13/h1,6,13H,2H2.
What are the key properties of 4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol?
4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol has a molecular weight of 211.57 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(chloromethyl)-6-(difluoromethyl)-2-fluoropyridin-3-ol is sourced from PubChem (CID 130079502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).