[6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol

C8H8ClF2NO — CID 119006322

IUPAC[6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)c(C(F)F)nc1Cl
InChIInChI=1S/C8H8ClF2NO/c1-4-2-5(3-13)6(8(10)11)12-7(4)9/h2,8,13H,3H2,1H3
InChIKeyGOXNHKCJOIJQCH-UHFFFAOYSA-N
MW207.61 g/mol
LogP2.47
Rot. Bonds2

About [6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol

[6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol (PubChem CID 119006322) has the molecular formula C8H8ClF2NO and a molecular weight of 207.61 g/mol. Its IUPAC name is [6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol.

Molecular Properties

Compound Name[6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
PubChem CID119006322
Molecular FormulaC8H8ClF2NO
Molecular Weight207.61 g/mol
Exact Mass207.03
IUPAC Name[6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol
SMILESCc1cc(CO)c(C(F)F)nc1Cl
InChIInChI=1S/C8H8ClF2NO/c1-4-2-5(3-13)6(8(10)11)12-7(4)9/h2,8,13H,3H2,1H3
InChIKeyGOXNHKCJOIJQCH-UHFFFAOYSA-N
XLogP2.47
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.61
LogP ≤ 52.47
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

[5-amino-6-chloro-2-(difluoromethyl)-3-pyridinyl]methanol
CID 130102831
(6-chloro-2,5-dimethyl-3-pyridinyl)methanol
CID 130047173
[6-(difluoromethyl)-2-fluoro-5-methyl-3-pyridinyl]methanol
CID 130081099
[2-chloro-6-(difluoromethyl)-5-iodo-3-pyridinyl]methanol
CID 118990772
6-chloro-2-(difluoromethyl)-5-methylpyridine-3-carbaldehyde
CID 130074332
6-(difluoromethyl)-5-(hydroxymethyl)-2-methylpyridine-3-carbonitrile
CID 130078344
[3-chloro-6-(chloromethyl)-2-(difluoromethyl)-4-pyridinyl]methanol
CID 130075594
(6-chloro-3-fluoro-5-methyl-2-pyridinyl)methanol
CID 163303923
2-chloro-5-(chloromethyl)-6-(difluoromethyl)pyridin-3-ol
CID 119019383
[6-bromo-2-(difluoromethyl)-5-methoxy-3-pyridinyl]methanol
CID 130068895
[2-(difluoromethyl)-5-iodo-6-methoxy-3-pyridinyl]methanol
CID 118848642
[5-chloro-6-(difluoromethyl)-2-iodo-3-pyridinyl]methanol
CID 130073280

Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol?
The IUPAC name of [6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol (CID 119006322) is [6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol.
What is the SMILES notation for [6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol?
The canonical SMILES for [6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol is Cc1cc(CO)c(C(F)F)nc1Cl.
What is the InChIKey of [6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol?
The InChIKey is GOXNHKCJOIJQCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8ClF2NO/c1-4-2-5(3-13)6(8(10)11)12-7(4)9/h2,8,13H,3H2,1H3.
What are the key properties of [6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol?
[6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol has a molecular weight of 207.61 g/mol, XLogP of 2.47, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-(difluoromethyl)-5-methyl-3-pyridinyl]methanol is sourced from PubChem (CID 119006322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).