3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine

C15H21ClF3N — CID 170266507

IUPAC3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine
SMILESCCCCC(CCCC)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H21ClF3N/c1-3-5-7-11(8-6-4-2)14-13(16)9-12(10-20-14)15(17,18)19/h9-11H,3-8H2,1-2H3
InChIKeyUDNFXRIGAOIBRV-UHFFFAOYSA-N
MW307.79 g/mol
LogP6.22
Rot. Bonds7

About 3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine

3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine (PubChem CID 170266507) has the molecular formula C15H21ClF3N and a molecular weight of 307.79 g/mol. Its IUPAC name is 3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine
PubChem CID170266507
Molecular FormulaC15H21ClF3N
Molecular Weight307.79 g/mol
Exact Mass307.13
IUPAC Name3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine
SMILESCCCCC(CCCC)c1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C15H21ClF3N/c1-3-5-7-11(8-6-4-2)14-13(16)9-12(10-20-14)15(17,18)19/h9-11H,3-8H2,1-2H3
InChIKeyUDNFXRIGAOIBRV-UHFFFAOYSA-N
XLogP6.22
TPSA12.89 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.79
LogP ≤ 56.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

3-chloro-2-pentan-3-yl-5-(trifluoromethyl)pyridine
CID 138603693
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]butan-1-amine;hydrochloride
CID 66798194
2-butyl-3-chloro-5-(trifluoromethyl)pyridine
CID 68842183
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pentan-2-ol
CID 63201271
ethyl (2R)-2-bromo-2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetate
CID 124583640
3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
3-chloro-2-(1-fluoro-2-iodoethyl)-5-(trifluoromethyl)pyridine
CID 163548685
3-chloro-N-octan-2-yl-5-(trifluoromethyl)pyridin-2-amine
CID 63540407
3-heptan-3-yl-5-(trifluoromethyl)pyridine
CID 137443889
N-[3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-2,3-dihydroxypropyl]acetamide
CID 170830717
3-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N,4-dimethylpentan-2-amine
CID 63198526
3-chloro-2-ethylsulfanyl-5-(trifluoromethyl)pyridine
CID 112776146

Frequently Asked Questions

What is the IUPAC name of 3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine?
The IUPAC name of 3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine (CID 170266507) is 3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine.
What is the SMILES notation for 3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine?
The canonical SMILES for 3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine is CCCCC(CCCC)c1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine?
The InChIKey is UDNFXRIGAOIBRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClF3N/c1-3-5-7-11(8-6-4-2)14-13(16)9-12(10-20-14)15(17,18)19/h9-11H,3-8H2,1-2H3.
What are the key properties of 3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine?
3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine has a molecular weight of 307.79 g/mol, XLogP of 6.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-2-nonan-5-yl-5-(trifluoromethyl)pyridine is sourced from PubChem (CID 170266507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).