2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde

C12H13F3N2O — CID 11482301

IUPAC2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)F)nc1N1CCCCC1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)10-5-4-9(8-18)11(16-10)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2
InChIKeyXAAAHAVLDZBYNQ-UHFFFAOYSA-N
MW258.24 g/mol
LogP2.90
Rot. Bonds2

About 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde

2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde (PubChem CID 11482301) has the molecular formula C12H13F3N2O and a molecular weight of 258.24 g/mol. Its IUPAC name is 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde
PubChem CID11482301
Molecular FormulaC12H13F3N2O
Molecular Weight258.24 g/mol
Exact Mass258.10
IUPAC Name2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde
SMILESO=Cc1ccc(C(F)(F)F)nc1N1CCCCC1
InChIInChI=1S/C12H13F3N2O/c13-12(14,15)10-5-4-9(8-18)11(16-10)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2
InChIKeyXAAAHAVLDZBYNQ-UHFFFAOYSA-N
XLogP2.90
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.24
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[2-pyrrolidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enamide
CID 154034463
2-(azepan-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79877717
2-(azocan-1-yl)-6-(trifluoromethyl)pyridine-3-carbothioamide
CID 79876505
1-(5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one
CID 68511816
(E)-1-(5,8-dichloro-6,7-dihydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-3-[2-piperidin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-en-1-one
CID 42629727
2-methyl-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 28875322
2-iodo-6-(trifluoromethyl)pyridine-3-carbaldehyde
CID 130922748
3-[2-piperazin-1-yl-6-(trifluoromethyl)-3-pyridinyl]prop-2-enoic acid
CID 68786202
2-(azetidin-1-yl)-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 126779013
8-chloro-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 20983112
7-chloro-8-methyl-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 20983139
7-methoxy-2-piperidin-1-ylquinoline-3-carbaldehyde
CID 857615

Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The IUPAC name of 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde (CID 11482301) is 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde.
What is the SMILES notation for 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The canonical SMILES for 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde is O=Cc1ccc(C(F)(F)F)nc1N1CCCCC1.
What is the InChIKey of 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
The InChIKey is XAAAHAVLDZBYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O/c13-12(14,15)10-5-4-9(8-18)11(16-10)17-6-2-1-3-7-17/h4-5,8H,1-3,6-7H2.
What are the key properties of 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde?
2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde has a molecular weight of 258.24 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-yl-6-(trifluoromethyl)pyridine-3-carbaldehyde is sourced from PubChem (CID 11482301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).