[6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol

C8H8ClF2NO — CID 130098354

IUPAC[6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ccc(C(F)F)c(CCl)n1
InChIInChI=1S/C8H8ClF2NO/c9-3-7-6(8(10)11)2-1-5(4-13)12-7/h1-2,8,13H,3-4H2
InChIKeyPRUXGQKSPFWOFB-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.25
Rot. Bonds3

About [6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol

[6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol (PubChem CID 130098354) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is [6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
PubChem CID130098354
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name[6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol
SMILESOCc1ccc(C(F)F)c(CCl)n1
InChIInChI=1S/C8H8ClF2NO/c9-3-7-6(8(10)11)2-1-5(4-13)12-7/h1-2,8,13H,3-4H2
InChIKeyPRUXGQKSPFWOFB-UHFFFAOYSA-N
XLogP2.25
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.25
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

6-bromo-2-(chloromethyl)-3-(difluoromethyl)pyridine
CID 130095122
6-(chloromethyl)-3-(difluoromethyl)-2-methylpyridine
CID 130097600
2-chloro-6-(chloromethyl)-5-(difluoromethyl)-3-fluoropyridine
CID 119019350
[6-(chloromethyl)-5-(difluoromethyl)-2-methoxy-3-pyridinyl]methanol
CID 118809943
[5-(chloromethyl)-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130098363
[6-(aminomethyl)-4-(difluoromethyl)-5-iodo-2-pyridinyl]methanol
CID 130086878
6-(chloromethyl)-3-(difluoromethyl)pyridine-2-carbonitrile
CID 130095941
2-[6-(chloromethyl)-5-(difluoromethyl)-3-fluoro-2-pyridinyl]acetic acid
CID 118821411
[6-(aminomethyl)-3-chloro-4-(difluoromethyl)-2-pyridinyl]methanol
CID 130074984
[6-(aminomethyl)-4-(difluoromethyl)-5-methyl-2-pyridinyl]methanol
CID 130088446
[3-bromo-2-(chloromethyl)-5-(difluoromethyl)-4-pyridinyl]methanol
CID 130070585
6-(chloromethyl)-4-(difluoromethyl)-5-(hydroxymethyl)pyridine-2-carbonitrile
CID 118809883

Frequently Asked Questions

What is the IUPAC name of [6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol?
The IUPAC name of [6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol (CID 130098354) is [6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol.
What is the SMILES notation for [6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol?
The canonical SMILES for [6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol is OCc1ccc(C(F)F)c(CCl)n1.
What is the InChIKey of [6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol?
The InChIKey is PRUXGQKSPFWOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c9-3-7-6(8(10)11)2-1-5(4-13)12-7/h1-2,8,13H,3-4H2.
What are the key properties of [6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol?
[6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol has a molecular weight of 207.61 g/mol, XLogP of 2.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(chloromethyl)-5-(difluoromethyl)-2-pyridinyl]methanol is sourced from PubChem (CID 130098354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).