3-chloro-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

C12H14ClF3N2O — CID 43420858

IUPAC3-chloro-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ncc(C(F)(F)F)cc1Cl)C1CCCO1
InChIInChI=1S/C12H14ClF3N2O/c1-7(10-3-2-4-19-10)18-11-9(13)5-8(6-17-11)12(14,15)16/h5-7,10H,2-4H2,1H3,(H,17,18)
InChIKeyPYYQCBBQDMIHRR-UHFFFAOYSA-N
MW294.70 g/mol
LogP3.73
Rot. Bonds3

About 3-chloro-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 43420858) has the molecular formula C12H14ClF3N2O and a molecular weight of 294.70 g/mol. Its IUPAC name is 3-chloro-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID43420858
Molecular FormulaC12H14ClF3N2O
Molecular Weight294.70 g/mol
Exact Mass294.07
IUPAC Name3-chloro-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCC(Nc1ncc(C(F)(F)F)cc1Cl)C1CCCO1
InChIInChI=1S/C12H14ClF3N2O/c1-7(10-3-2-4-19-10)18-11-9(13)5-8(6-17-11)12(14,15)16/h5-7,10H,2-4H2,1H3,(H,17,18)
InChIKeyPYYQCBBQDMIHRR-UHFFFAOYSA-N
XLogP3.73
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.70
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[5-({[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-1-ethanone
CID 4268252
Ethyl 5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxylate
CID 4264967
2-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]ethyl cyclobutanecarboxylate
CID 2350214
Ethyl 2-{[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}acetate
CID 2774334
N-(oxolan-2-ylmethyl)-5-(trifluoromethyl)pyridin-2-amine
CID 2990775
1-[[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-3-(oxolan-2-ylmethyl)thiourea
CID 3480883
2-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)ethan-1-ol
CID 53408938
3-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)propane-1,2-diol
CID 66175652
3-chloro-N-[2-(morpholin-4-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 2119054
4-((3-Chloro-5-(trifluoromethyl)pyridin-2-yl)amino)-3-hydroxybutanenitrile
CID 2773921
5-chloro-N-[[(2S)-oxolan-2-yl]methyl]pyridin-2-amine
CID 29266983
n-((Tetrahydrofuran-2-yl)methyl)-3-(trifluoromethyl)pyridin-2-amine
CID 43103022

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine (CID 43420858) is 3-chloro-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is CC(Nc1ncc(C(F)(F)F)cc1Cl)C1CCCO1.
What is the InChIKey of 3-chloro-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is PYYQCBBQDMIHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O/c1-7(10-3-2-4-19-10)18-11-9(13)5-8(6-17-11)12(14,15)16/h5-7,10H,2-4H2,1H3,(H,17,18).
What are the key properties of 3-chloro-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 294.70 g/mol, XLogP of 3.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[1-(oxolan-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 43420858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).