5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine

C10H11ClF3N3 — CID 172880679

IUPAC5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESFC(F)(F)C1CCCN(c2ncc(Cl)cn2)C1
InChIInChI=1S/C10H11ClF3N3/c11-8-4-15-9(16-5-8)17-3-1-2-7(6-17)10(12,13)14/h4-5,7H,1-3,6H2
InChIKeyOHSLSQGWGGUWSX-UHFFFAOYSA-N
MW265.67 g/mol
LogP2.91
Rot. Bonds1

About 5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine

5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine (PubChem CID 172880679) has the molecular formula C10H11ClF3N3 and a molecular weight of 265.67 g/mol. Its IUPAC name is 5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine.

Molecular Properties

Compound Name5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
PubChem CID172880679
Molecular FormulaC10H11ClF3N3
Molecular Weight265.67 g/mol
Exact Mass265.06
IUPAC Name5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
SMILESFC(F)(F)C1CCCN(c2ncc(Cl)cn2)C1
InChIInChI=1S/C10H11ClF3N3/c11-8-4-15-9(16-5-8)17-3-1-2-7(6-17)10(12,13)14/h4-5,7H,1-3,6H2
InChIKeyOHSLSQGWGGUWSX-UHFFFAOYSA-N
XLogP2.91
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.67
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

CID 123785451
CID 123785451
[4-methyl-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidin-5-yl]methanamine
CID 83188783
2-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]oxy-5-methylpyrimidine
CID 172900064
6-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyridin-3-amine
CID 129372273
5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine
CID 126993949
1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol
CID 66569913
4-methoxy-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 126817206
N-[1-(5-chloropyrimidin-2-yl)piperidin-3-yl]-2,2-dimethylpropanamide
CID 163357525
3-[2-[(3R)-3-(trifluoromethyl)pyrrolidin-1-yl]pyrimidin-5-yl]azetidine-1-carbaldehyde
CID 175981182
4-(1-methylpyrazol-4-yl)-2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]pyrimidine
CID 31125821
tert-butyl N-[(3R)-1-(5-chloropyrimidin-2-yl)piperidin-3-yl]carbamate
CID 86329478
2-[(3S)-3-(trifluoromethyl)piperidin-1-yl]-1,3-thiazole-5-sulfonamide
CID 95288282

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The IUPAC name of 5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine (CID 172880679) is 5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine.
What is the SMILES notation for 5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The canonical SMILES for 5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine is FC(F)(F)C1CCCN(c2ncc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
The InChIKey is OHSLSQGWGGUWSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClF3N3/c11-8-4-15-9(16-5-8)17-3-1-2-7(6-17)10(12,13)14/h4-5,7H,1-3,6H2.
What are the key properties of 5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine?
5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine has a molecular weight of 265.67 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[3-(trifluoromethyl)piperidin-1-yl]pyrimidine is sourced from PubChem (CID 172880679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).