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

C8H7ClF3NO — CID 153337818

IUPAC[2-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCc1cc(C(F)(F)F)nc(Cl)c1CO
InChIInChI=1S/C8H7ClF3NO/c1-4-2-6(8(10,11)12)13-7(9)5(4)3-14/h2,14H,3H2,1H3
InChIKeyGQQDBVDTYGEPKP-UHFFFAOYSA-N
MW225.60 g/mol
LogP2.55
Rot. Bonds1

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

[2-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol (PubChem CID 153337818) has the molecular formula C8H7ClF3NO and a molecular weight of 225.60 g/mol. Its IUPAC name is [2-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol.

Molecular Properties

Compound Name[2-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol
PubChem CID153337818
Molecular FormulaC8H7ClF3NO
Molecular Weight225.60 g/mol
Exact Mass225.02
IUPAC Name[2-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol
SMILESCc1cc(C(F)(F)F)nc(Cl)c1CO
InChIInChI=1S/C8H7ClF3NO/c1-4-2-6(8(10,11)12)13-7(9)5(4)3-14/h2,14H,3H2,1H3
InChIKeyGQQDBVDTYGEPKP-UHFFFAOYSA-N
XLogP2.55
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.60
LogP ≤ 52.55
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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Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol?
The IUPAC name of [2-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol (CID 153337818) is [2-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol.
What is the SMILES notation for [2-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol?
The canonical SMILES for [2-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol is Cc1cc(C(F)(F)F)nc(Cl)c1CO.
What is the InChIKey of [2-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol?
The InChIKey is GQQDBVDTYGEPKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClF3NO/c1-4-2-6(8(10,11)12)13-7(9)5(4)3-14/h2,14H,3H2,1H3.
What are the key properties of [2-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol?
[2-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol has a molecular weight of 225.60 g/mol, XLogP of 2.55, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-methyl-6-(trifluoromethyl)-3-pyridinyl]methanol is sourced from PubChem (CID 153337818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).