(3-methyl-4-pyridinyl)methanol;3-(trifluoromethyl)pyridine-4-carbaldehyde

C14H13F3N2O2 — CID 157211060

IUPAC(3-methyl-4-pyridinyl)methanol;3-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESCc1cnccc1CO.O=Cc1ccncc1C(F)(F)F
InChIInChI=1S/C7H4F3NO.C7H9NO/c8-7(9,10)6-3-11-2-1-5(6)4-12;1-6-4-8-3-2-7(6)5-9/h1-4H;2-4,9H,5H2,1H3
InChIKeyARWWFWPFIIIILY-UHFFFAOYSA-N
MW298.26 g/mol
LogP2.80
Rot. Bonds2

About (3-methyl-4-pyridinyl)methanol;3-(trifluoromethyl)pyridine-4-carbaldehyde

(3-methyl-4-pyridinyl)methanol;3-(trifluoromethyl)pyridine-4-carbaldehyde (PubChem CID 157211060) has the molecular formula C14H13F3N2O2 and a molecular weight of 298.26 g/mol. Its IUPAC name is (3-methyl-4-pyridinyl)methanol;3-(trifluoromethyl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name(3-methyl-4-pyridinyl)methanol;3-(trifluoromethyl)pyridine-4-carbaldehyde
PubChem CID157211060
Molecular FormulaC14H13F3N2O2
Molecular Weight298.26 g/mol
Exact Mass298.09
IUPAC Name(3-methyl-4-pyridinyl)methanol;3-(trifluoromethyl)pyridine-4-carbaldehyde
SMILESCc1cnccc1CO.O=Cc1ccncc1C(F)(F)F
InChIInChI=1S/C7H4F3NO.C7H9NO/c8-7(9,10)6-3-11-2-1-5(6)4-12;1-6-4-8-3-2-7(6)5-9/h1-4H;2-4,9H,5H2,1H3
InChIKeyARWWFWPFIIIILY-UHFFFAOYSA-N
XLogP2.80
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.26
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-4-pyridinyl)methanol;3-(trifluoromethyl)pyridine-4-carbaldehyde?
The IUPAC name of (3-methyl-4-pyridinyl)methanol;3-(trifluoromethyl)pyridine-4-carbaldehyde (CID 157211060) is (3-methyl-4-pyridinyl)methanol;3-(trifluoromethyl)pyridine-4-carbaldehyde.
What is the SMILES notation for (3-methyl-4-pyridinyl)methanol;3-(trifluoromethyl)pyridine-4-carbaldehyde?
The canonical SMILES for (3-methyl-4-pyridinyl)methanol;3-(trifluoromethyl)pyridine-4-carbaldehyde is Cc1cnccc1CO.O=Cc1ccncc1C(F)(F)F.
What is the InChIKey of (3-methyl-4-pyridinyl)methanol;3-(trifluoromethyl)pyridine-4-carbaldehyde?
The InChIKey is ARWWFWPFIIIILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO.C7H9NO/c8-7(9,10)6-3-11-2-1-5(6)4-12;1-6-4-8-3-2-7(6)5-9/h1-4H;2-4,9H,5H2,1H3.
What are the key properties of (3-methyl-4-pyridinyl)methanol;3-(trifluoromethyl)pyridine-4-carbaldehyde?
(3-methyl-4-pyridinyl)methanol;3-(trifluoromethyl)pyridine-4-carbaldehyde has a molecular weight of 298.26 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-4-pyridinyl)methanol;3-(trifluoromethyl)pyridine-4-carbaldehyde is sourced from PubChem (CID 157211060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).