[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol

C8H5ClF5NO — CID 118839353

IUPAC[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1c(C(F)(F)F)ncc(C(F)F)c1Cl
InChIInChI=1S/C8H5ClF5NO/c9-5-3(7(10)11)1-15-6(4(5)2-16)8(12,13)14/h1,7,16H,2H2
InChIKeyHMLQVIYAHZHABQ-UHFFFAOYSA-N
MW261.58 g/mol
LogP3.18
Rot. Bonds2

About [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol

[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 118839353) has the molecular formula C8H5ClF5NO and a molecular weight of 261.58 g/mol. Its IUPAC name is [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID118839353
Molecular FormulaC8H5ClF5NO
Molecular Weight261.58 g/mol
Exact Mass261.00
IUPAC Name[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol
SMILESOCc1c(C(F)(F)F)ncc(C(F)F)c1Cl
InChIInChI=1S/C8H5ClF5NO/c9-5-3(7(10)11)1-15-6(4(5)2-16)8(12,13)14/h1,7,16H,2H2
InChIKeyHMLQVIYAHZHABQ-UHFFFAOYSA-N
XLogP3.18
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.58
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130074919
[4-chloro-5-(difluoromethyl)-2-methyl-3-pyridinyl]methanol
CID 130074319
[3,5-dichloro-2-(trifluoromethyl)-4-pyridinyl]methanol
CID 170906648
[4-(difluoromethyl)-5-fluoro-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 130082460
[3-(bromomethyl)-4-chloro-5-(difluoromethyl)-2-pyridinyl]methanol
CID 130075216
[4-(difluoromethyl)-5-methoxy-2-(trifluoromethyl)-3-pyridinyl]methanol
CID 118824102
4-(difluoromethyl)-5-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133106995
3-(aminomethyl)-5-(difluoromethyl)-2-(trifluoromethyl)pyridin-4-amine
CID 118850626
ethyl 2-[3-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-4-pyridinyl]acetate
CID 134662366
[4-bromo-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130070007
5-(difluoromethyl)-4-(hydroxymethyl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 133107002
[4-(difluoromethyl)-5-methyl-2-(trifluoromethyl)-3-pyridinyl]methanamine
CID 130088384

Frequently Asked Questions

What is the IUPAC name of [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol (CID 118839353) is [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol is OCc1c(C(F)(F)F)ncc(C(F)F)c1Cl.
What is the InChIKey of [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is HMLQVIYAHZHABQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5ClF5NO/c9-5-3(7(10)11)1-15-6(4(5)2-16)8(12,13)14/h1,7,16H,2H2.
What are the key properties of [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol?
[4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 261.58 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-5-(difluoromethyl)-2-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 118839353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).