[2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol

C9H7ClF5NO — CID 118843740

IUPAC[2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1cc(C(F)(F)F)nc(CCl)c1C(F)F
InChIInChI=1S/C9H7ClF5NO/c10-2-5-7(8(11)12)4(3-17)1-6(16-5)9(13,14)15/h1,8,17H,2-3H2
InChIKeyDZKQMMAZDNIDFO-UHFFFAOYSA-N
MW275.60 g/mol
LogP3.27
Rot. Bonds3

About [2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol

[2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 118843740) has the molecular formula C9H7ClF5NO and a molecular weight of 275.60 g/mol. Its IUPAC name is [2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID118843740
Molecular FormulaC9H7ClF5NO
Molecular Weight275.60 g/mol
Exact Mass275.01
IUPAC Name[2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1cc(C(F)(F)F)nc(CCl)c1C(F)F
InChIInChI=1S/C9H7ClF5NO/c10-2-5-7(8(11)12)4(3-17)1-6(16-5)9(13,14)15/h1,8,17H,2-3H2
InChIKeyDZKQMMAZDNIDFO-UHFFFAOYSA-N
XLogP3.27
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.60
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[2-amino-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol
CID 119014578
2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)pyridine-4-carbaldehyde
CID 118832698
4-(chloromethyl)-3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)pyridine
CID 130082138
[6-amino-3-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 130107727
[4-chloro-5-(difluoromethyl)-6-(trifluoromethyl)-2-pyridinyl]methanol
CID 118839527
2-[2-(chloromethyl)-4-(difluoromethyl)-6-(trifluoromethyl)-3-pyridinyl]acetic acid
CID 118843963
[3-(difluoromethyl)-6-fluoro-4-(trifluoromethyl)-2-pyridinyl]methanol
CID 133103764
2-[2-chloro-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 119019464
2-[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]acetic acid
CID 133103853
[2-(bromomethyl)-3-(difluoromethyl)-6-(trifluoromethoxy)-4-pyridinyl]methanol
CID 134671632
[3-(difluoromethyl)-2-fluoro-6-(trifluoromethyl)-4-pyridinyl]methanamine
CID 130081569
[2-(bromomethyl)-3-(difluoromethyl)-6-fluoro-4-pyridinyl]methanol
CID 130081815

Frequently Asked Questions

What is the IUPAC name of [2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol (CID 118843740) is [2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol is OCc1cc(C(F)(F)F)nc(CCl)c1C(F)F.
What is the InChIKey of [2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is DZKQMMAZDNIDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7ClF5NO/c10-2-5-7(8(11)12)4(3-17)1-6(16-5)9(13,14)15/h1,8,17H,2-3H2.
What are the key properties of [2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol?
[2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 275.60 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(chloromethyl)-3-(difluoromethyl)-6-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 118843740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).