3-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine

C11H12ClF3N2O2 — CID 131893093

IUPAC3-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCO[C@H]1COC[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H12ClF3N2O2/c1-18-9-5-19-4-8(9)17-10-7(12)2-6(3-16-10)11(13,14)15/h2-3,8-9H,4-5H2,1H3,(H,16,17)/t8-,9-/m0/s1
InChIKeyILIXLBNJHNFGLM-IUCAKERBSA-N
MW296.68 g/mol
LogP2.58
Rot. Bonds3

About 3-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 131893093) has the molecular formula C11H12ClF3N2O2 and a molecular weight of 296.68 g/mol. Its IUPAC name is 3-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID131893093
Molecular FormulaC11H12ClF3N2O2
Molecular Weight296.68 g/mol
Exact Mass296.05
IUPAC Name3-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCO[C@H]1COC[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl
InChIInChI=1S/C11H12ClF3N2O2/c1-18-9-5-19-4-8(9)17-10-7(12)2-6(3-16-10)11(13,14)15/h2-3,8-9H,4-5H2,1H3,(H,16,17)/t8-,9-/m0/s1
InChIKeyILIXLBNJHNFGLM-IUCAKERBSA-N
XLogP2.58
TPSA43.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-({[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolecarboxamide
CID 2765101
1-[5-({[3-Chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-4,5-dihydro-3-isoxazolyl]-1-ethanone
CID 4268252
5-({[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino}methyl)-N-[(methoxyamino)methylene]-4,5-dihydro-3-isoxazolecarboxamide
CID 135423149
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-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-1-morpholin-4-ylmethanimine
CID 2801651
1-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]pyrrolidin-3-ol
CID 53408254
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
2-[3-Chloro-5-(trifluoromethyl)pyridin-2-yl]-1,2-oxazolidin-4-ol
CID 66545136
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

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine (CID 131893093) is 3-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine is CO[C@H]1COC[C@@H]1Nc1ncc(C(F)(F)F)cc1Cl.
What is the InChIKey of 3-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is ILIXLBNJHNFGLM-IUCAKERBSA-N. The full InChI is InChI=1S/C11H12ClF3N2O2/c1-18-9-5-19-4-8(9)17-10-7(12)2-6(3-16-10)11(13,14)15/h2-3,8-9H,4-5H2,1H3,(H,16,17)/t8-,9-/m0/s1.
What are the key properties of 3-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 296.68 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[(3S,4R)-4-methoxyoxolan-3-yl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 131893093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).