3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine

C13H15Cl2N5 — CID 124851075

IUPAC3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine
SMILESClc1cnc(N2CCC[C@@H](Cn3cncn3)C2)c(Cl)c1
InChIInChI=1S/C13H15Cl2N5/c14-11-4-12(15)13(17-5-11)19-3-1-2-10(6-19)7-20-9-16-8-18-20/h4-5,8-10H,1-3,6-7H2/t10-/m1/s1
InChIKeyRTNKSILQKZBOOD-SNVBAGLBSA-N
MW312.20 g/mol
LogP2.90
Rot. Bonds3

About 3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine

3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine (PubChem CID 124851075) has the molecular formula C13H15Cl2N5 and a molecular weight of 312.20 g/mol. Its IUPAC name is 3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine.

Molecular Properties

Compound Name3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine
PubChem CID124851075
Molecular FormulaC13H15Cl2N5
Molecular Weight312.20 g/mol
Exact Mass311.07
IUPAC Name3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine
SMILESClc1cnc(N2CCC[C@@H](Cn3cncn3)C2)c(Cl)c1
InChIInChI=1S/C13H15Cl2N5/c14-11-4-12(15)13(17-5-11)19-3-1-2-10(6-19)7-20-9-16-8-18-20/h4-5,8-10H,1-3,6-7H2/t10-/m1/s1
InChIKeyRTNKSILQKZBOOD-SNVBAGLBSA-N
XLogP2.90
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.20
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine with MolForge

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Related Compounds

5-chloro-2-methoxy-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyrimidine
CID 167788544
1-(2,6-dichloro-4-nitrophenyl)-3-(1,2,4-triazol-1-ylmethyl)piperidine
CID 133454657
(3S)-1-(3,5-dichloro-2-pyridinyl)piperidin-3-ol
CID 107225530
4-chloro-8-fluoro-7-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]quinoline
CID 86969359
5-methyl-7-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 95323188
N-(5-chloro-2-pyridinyl)-2-[(3S)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]acetamide
CID 95316363
5-fluoro-2-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]benzonitrile
CID 133321116
1-(3,5-dichloro-2-pyridinyl)azepan-4-ol
CID 128509432
[1-(3,5-dichloro-2-pyridinyl)piperidin-3-yl]-piperidin-1-ylmethanone
CID 166600860
2-pyridin-4-yl-4-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 133321105
3-phenyl-6-[3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133293780
5-chloro-6-[3-(hydroxymethyl)piperidin-1-yl]pyridine-3-carboxylic acid
CID 43590552

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine?
The IUPAC name of 3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine (CID 124851075) is 3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine.
What is the SMILES notation for 3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine?
The canonical SMILES for 3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine is Clc1cnc(N2CCC[C@@H](Cn3cncn3)C2)c(Cl)c1.
What is the InChIKey of 3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine?
The InChIKey is RTNKSILQKZBOOD-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H15Cl2N5/c14-11-4-12(15)13(17-5-11)19-3-1-2-10(6-19)7-20-9-16-8-18-20/h4-5,8-10H,1-3,6-7H2/t10-/m1/s1.
What are the key properties of 3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine?
3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine has a molecular weight of 312.20 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-2-[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]pyridine is sourced from PubChem (CID 124851075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).