(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride

C9H11Cl2F3N2O — CID 142503813

IUPAC(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride
SMILESC[C@@H](N)COc1ncc(C(F)(F)F)cc1Cl.Cl
InChIInChI=1S/C9H10ClF3N2O.ClH/c1-5(14)4-16-8-7(10)2-6(3-15-8)9(11,12)13;/h2-3,5H,4,14H2,1H3;1H/t5-;/m1./s1
InChIKeySYCDBIJKPHFLRC-NUBCRITNSA-N
MW291.10 g/mol
LogP2.90
Rot. Bonds3

About (2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride

(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride (PubChem CID 142503813) has the molecular formula C9H11Cl2F3N2O and a molecular weight of 291.10 g/mol. Its IUPAC name is (2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride.

Molecular Properties

Compound Name(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride
PubChem CID142503813
Molecular FormulaC9H11Cl2F3N2O
Molecular Weight291.10 g/mol
Exact Mass290.02
IUPAC Name(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride
SMILESC[C@@H](N)COc1ncc(C(F)(F)F)cc1Cl.Cl
InChIInChI=1S/C9H10ClF3N2O.ClH/c1-5(14)4-16-8-7(10)2-6(3-15-8)9(11,12)13;/h2-3,5H,4,14H2,1H3;1H/t5-;/m1./s1
InChIKeySYCDBIJKPHFLRC-NUBCRITNSA-N
XLogP2.90
TPSA48.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.10
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-2-ethoxy-5-(trifluoromethyl)pyridine
CID 71058681
3-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]butanamide;dihydrochloride
CID 119893789
3-chloro-2-(2-chloro-3-methoxypropyl)-5-(trifluoromethyl)pyridine
CID 63205098
3-chloro-2-methoxy-5-(trifluoromethyl)pyridine;molecular hydrogen
CID 161307255
3-chloro-2-(trifluoromethoxy)-5-(trifluoromethyl)pyridine
CID 175669606
1-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-3-methoxyphenyl]propan-2-amine
CID 170890970
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]acetic acid
CID 56832322
3-chloro-2-(4-propan-2-yloxyphenoxy)-5-(trifluoromethyl)pyridine
CID 56627403
3-chloro-N-(1-methoxypropan-2-yl)-5-(trifluoromethyl)pyridin-2-amine
CID 43080874
(2S)-2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-2-cyclopropylethanamine
CID 125471389
2-amino-N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]ethyl]acetamide;dihydrochloride
CID 119893779
3-chloro-2-(piperidin-4-ylmethoxy)-5-(trifluoromethyl)pyridine;hydrochloride
CID 71643509

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride?
The IUPAC name of (2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride (CID 142503813) is (2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride.
What is the SMILES notation for (2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride?
The canonical SMILES for (2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride is C[C@@H](N)COc1ncc(C(F)(F)F)cc1Cl.Cl.
What is the InChIKey of (2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride?
The InChIKey is SYCDBIJKPHFLRC-NUBCRITNSA-N. The full InChI is InChI=1S/C9H10ClF3N2O.ClH/c1-5(14)4-16-8-7(10)2-6(3-15-8)9(11,12)13;/h2-3,5H,4,14H2,1H3;1H/t5-;/m1./s1.
What are the key properties of (2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride?
(2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride has a molecular weight of 291.10 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-amine;hydrochloride is sourced from PubChem (CID 142503813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).