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

C13H9ClF3NO — CID 134619576

IUPAC[2-chloro-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
SMILESOCc1ccnc(Cl)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9ClF3NO/c14-12-11(9(7-19)5-6-18-12)8-1-3-10(4-2-8)13(15,16)17/h1-6,19H,7H2
InChIKeyKLBCRAYJRXRKBL-UHFFFAOYSA-N
MW287.67 g/mol
LogP3.91
Rot. Bonds2

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

[2-chloro-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol (PubChem CID 134619576) has the molecular formula C13H9ClF3NO and a molecular weight of 287.67 g/mol. Its IUPAC name is [2-chloro-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol.

Molecular Properties

Compound Name[2-chloro-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
PubChem CID134619576
Molecular FormulaC13H9ClF3NO
Molecular Weight287.67 g/mol
Exact Mass287.03
IUPAC Name[2-chloro-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
SMILESOCc1ccnc(Cl)c1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H9ClF3NO/c14-12-11(9(7-19)5-6-18-12)8-1-3-10(4-2-8)13(15,16)17/h1-6,19H,7H2
InChIKeyKLBCRAYJRXRKBL-UHFFFAOYSA-N
XLogP3.91
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.67
LogP ≤ 53.91
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

[2-amino-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 134618432
2-chloro-3-[4-(trifluoromethyl)phenyl]pyridine-4-carbaldehyde
CID 119013869
[2-fluoro-5-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol
CID 133089792
1,2,3,4,5-pentachloro-6-[4-(trifluoromethyl)phenyl]benzene
CID 118809445
2,5-dichloro-3-[4-(trifluoromethyl)phenyl]pyridine
CID 119007781
2-[2-[4-(trifluoromethyl)phenyl]pyrimidin-4-yl]ethanol
CID 141113158
[5-chloro-6-[4-(trifluoromethyl)phenyl]-2-pyridinyl]methanol
CID 134625763
2-chloro-4-(2,2,2-trifluoroethyl)pyridin-3-amine
CID 172552203
[2-methyl-4-[4-(trifluoromethyl)phenyl]phenyl]methanol
CID 22280004
2,3-bis[4-(trifluoromethyl)phenyl]pyridine-4-carboxylic acid
CID 134617538
[2-chloro-4-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methanol
CID 131866706
[2-amino-5-[4-(trifluoromethyl)phenyl]phenyl]methanol;zinc
CID 158536023

Frequently Asked Questions

What is the IUPAC name of [2-chloro-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol?
The IUPAC name of [2-chloro-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol (CID 134619576) is [2-chloro-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol.
What is the SMILES notation for [2-chloro-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol?
The canonical SMILES for [2-chloro-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol is OCc1ccnc(Cl)c1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of [2-chloro-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol?
The InChIKey is KLBCRAYJRXRKBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF3NO/c14-12-11(9(7-19)5-6-18-12)8-1-3-10(4-2-8)13(15,16)17/h1-6,19H,7H2.
What are the key properties of [2-chloro-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol?
[2-chloro-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol has a molecular weight of 287.67 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-3-[4-(trifluoromethyl)phenyl]-4-pyridinyl]methanol is sourced from PubChem (CID 134619576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).