[6-chloro-2-cyclopropyl-3-(trifluoromethyl)-4-pyridinyl]methanol

C10H9ClF3NO — CID 122455803

IUPAC[6-chloro-2-cyclopropyl-3-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1cc(Cl)nc(C2CC2)c1C(F)(F)F
InChIInChI=1S/C10H9ClF3NO/c11-7-3-6(4-16)8(10(12,13)14)9(15-7)5-1-2-5/h3,5,16H,1-2,4H2
InChIKeyYFPWQBMUQJHADK-UHFFFAOYSA-N
MW251.63 g/mol
LogP3.12
Rot. Bonds2

About [6-chloro-2-cyclopropyl-3-(trifluoromethyl)-4-pyridinyl]methanol

[6-chloro-2-cyclopropyl-3-(trifluoromethyl)-4-pyridinyl]methanol (PubChem CID 122455803) has the molecular formula C10H9ClF3NO and a molecular weight of 251.63 g/mol. Its IUPAC name is [6-chloro-2-cyclopropyl-3-(trifluoromethyl)-4-pyridinyl]methanol.

Molecular Properties

Compound Name[6-chloro-2-cyclopropyl-3-(trifluoromethyl)-4-pyridinyl]methanol
PubChem CID122455803
Molecular FormulaC10H9ClF3NO
Molecular Weight251.63 g/mol
Exact Mass251.03
IUPAC Name[6-chloro-2-cyclopropyl-3-(trifluoromethyl)-4-pyridinyl]methanol
SMILESOCc1cc(Cl)nc(C2CC2)c1C(F)(F)F
InChIInChI=1S/C10H9ClF3NO/c11-7-3-6(4-16)8(10(12,13)14)9(15-7)5-1-2-5/h3,5,16H,1-2,4H2
InChIKeyYFPWQBMUQJHADK-UHFFFAOYSA-N
XLogP3.12
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.63
LogP ≤ 53.12
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

[3-(6-Chloro-2-pyridinyl)-2-methylphenyl]methanol
CID 137658185
(2-Chloro-6-methylpyridin-4-yl)methanol
CID 22504306
[2-Chloro-6-(trifluoromethyl)pyridin-3-yl]methanol
CID 53256696
2-Chloro-6-(trifluoromethyl)-4-pyridinemethanol
CID 72212583
(6-Chloro-4-methylpyridin-2-yl)methanol
CID 72710377
[6-Chloro-4-(trifluoromethyl)pyridin-2-yl]methanol
CID 112623595
(4-(6-(Trifluoromethyl)pyridin-2-yl)phenyl)methanol
CID 50972993
(2,6-Bis(trifluoromethyl)pyridin-4-yl)methanol
CID 66545218
1-(2-Chloro-6-methylpyridin-4-yl)-2-fluoroethan-1-ol
CID 165655083
(6-Chloro-2-pyridinyl)-phenylmethanol
CID 10704121
[5,6-Dichloro-3-(trifluoromethyl)-2-pyridinyl]-phenylmethanol
CID 102368273
(6-Methyl-4-trifluoromethyl-pyridin-2-yl)-methanol
CID 17862327

Frequently Asked Questions

What is the IUPAC name of [6-chloro-2-cyclopropyl-3-(trifluoromethyl)-4-pyridinyl]methanol?
The IUPAC name of [6-chloro-2-cyclopropyl-3-(trifluoromethyl)-4-pyridinyl]methanol (CID 122455803) is [6-chloro-2-cyclopropyl-3-(trifluoromethyl)-4-pyridinyl]methanol.
What is the SMILES notation for [6-chloro-2-cyclopropyl-3-(trifluoromethyl)-4-pyridinyl]methanol?
The canonical SMILES for [6-chloro-2-cyclopropyl-3-(trifluoromethyl)-4-pyridinyl]methanol is OCc1cc(Cl)nc(C2CC2)c1C(F)(F)F.
What is the InChIKey of [6-chloro-2-cyclopropyl-3-(trifluoromethyl)-4-pyridinyl]methanol?
The InChIKey is YFPWQBMUQJHADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClF3NO/c11-7-3-6(4-16)8(10(12,13)14)9(15-7)5-1-2-5/h3,5,16H,1-2,4H2.
What are the key properties of [6-chloro-2-cyclopropyl-3-(trifluoromethyl)-4-pyridinyl]methanol?
[6-chloro-2-cyclopropyl-3-(trifluoromethyl)-4-pyridinyl]methanol has a molecular weight of 251.63 g/mol, XLogP of 3.12, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-chloro-2-cyclopropyl-3-(trifluoromethyl)-4-pyridinyl]methanol is sourced from PubChem (CID 122455803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).