[5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol

C7H5ClF3NO — CID 130071902

IUPAC[5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
SMILESOCc1cnc(C(F)F)c(Cl)c1F
InChIInChI=1S/C7H5ClF3NO/c8-4-5(9)3(2-13)1-12-6(4)7(10)11/h1,7,13H,2H2
InChIKeyYUAHXTPQULMXMP-UHFFFAOYSA-N
MW211.57 g/mol
LogP2.30
Rot. Bonds2

About [5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol

[5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol (PubChem CID 130071902) has the molecular formula C7H5ClF3NO and a molecular weight of 211.57 g/mol. Its IUPAC name is [5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol.

Molecular Properties

Compound Name[5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
PubChem CID130071902
Molecular FormulaC7H5ClF3NO
Molecular Weight211.57 g/mol
Exact Mass211.00
IUPAC Name[5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol
SMILESOCc1cnc(C(F)F)c(Cl)c1F
InChIInChI=1S/C7H5ClF3NO/c8-4-5(9)3(2-13)1-12-6(4)7(10)11/h1,7,13H,2H2
InChIKeyYUAHXTPQULMXMP-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-bromo-5-chloro-6-(difluoromethyl)-3-pyridinyl]methanol
CID 118845394
[5-chloro-6-(difluoromethyl)-4-methoxy-3-pyridinyl]methanol
CID 130073877
[6-(difluoromethyl)-4-fluoro-5-nitro-3-pyridinyl]methanol
CID 133104596
2-[4,5-dichloro-6-(difluoromethyl)-3-pyridinyl]acetonitrile
CID 130099368
[5,6-dichloro-4-(difluoromethyl)-3-pyridinyl]methanol
CID 119020401
3-chloro-5-(chloromethyl)-2-(difluoromethyl)-4-iodopyridine
CID 130073182
6-(difluoromethyl)-5-fluoro-4-(hydroxymethyl)pyridin-3-ol
CID 130079568
5-(bromomethyl)-3-chloro-2-(difluoromethyl)pyridine-4-carbonitrile
CID 130071152
5-chloro-2-(difluoromethyl)-3-(hydroxymethyl)pyridine-4-carbonitrile
CID 130071262
2-(difluoromethyl)-5-(hydroxymethyl)-4-iodopyridine-3-carbonitrile
CID 130077513
2-[3-chloro-2-(difluoromethyl)-5-hydroxy-4-pyridinyl]acetonitrile
CID 130072557
3-chloro-2-(difluoromethyl)-5-hydroxypyridine-4-carbonitrile
CID 130070938

Frequently Asked Questions

What is the IUPAC name of [5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol?
The IUPAC name of [5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol (CID 130071902) is [5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol.
What is the SMILES notation for [5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol?
The canonical SMILES for [5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol is OCc1cnc(C(F)F)c(Cl)c1F.
What is the InChIKey of [5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol?
The InChIKey is YUAHXTPQULMXMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClF3NO/c8-4-5(9)3(2-13)1-12-6(4)7(10)11/h1,7,13H,2H2.
What are the key properties of [5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol?
[5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol has a molecular weight of 211.57 g/mol, XLogP of 2.30, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-6-(difluoromethyl)-4-fluoro-3-pyridinyl]methanol is sourced from PubChem (CID 130071902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).