(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride

C10H12Cl2F3N3 — CID 71643949

IUPAC(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C10H11ClF3N3.ClH/c11-8-3-6(10(12,13)14)4-16-9(8)17-2-1-7(15)5-17;/h3-4,7H,1-2,5,15H2;1H/t7-;/m0./s1
InChIKeyVVGDIAITSWOAJC-FJXQXJEOSA-N
MW302.13 g/mol
LogP2.71
Rot. Bonds1

About (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride

(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride (PubChem CID 71643949) has the molecular formula C10H12Cl2F3N3 and a molecular weight of 302.13 g/mol. Its IUPAC name is (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride.

Molecular Properties

Compound Name(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride
PubChem CID71643949
Molecular FormulaC10H12Cl2F3N3
Molecular Weight302.13 g/mol
Exact Mass301.04
IUPAC Name(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride
SMILESCl.N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1
InChIInChI=1S/C10H11ClF3N3.ClH/c11-8-3-6(10(12,13)14)4-16-9(8)17-2-1-7(15)5-17;/h3-4,7H,1-2,5,15H2;1H/t7-;/m0./s1
InChIKeyVVGDIAITSWOAJC-FJXQXJEOSA-N
XLogP2.71
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.13
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine
CID 68801517
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]methanol
CID 55064792
2-[4-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80669474
2-[3-(bromomethyl)piperidin-1-yl]-3-chloro-5-(trifluoromethyl)pyridine
CID 80673381
methyl 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidine-4-carboxylate
CID 2775349
(2R)-4-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperazine-2-carboxylic acid
CID 97169297
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]prop-2-enamide
CID 154865404
1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-(piperidin-4-ylmethyl)piperazine;hydrochloride
CID 120847374
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]pyrrolidine-3-carboxamide;dihydrochloride
CID 119897223
[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl] N-(4-chlorophenyl)carbamate
CID 110208789
N-[(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]but-2-ynamide
CID 124733283
N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-yl]-6-(trifluoromethyl)pyridazin-3-amine
CID 133419854

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride?
The IUPAC name of (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride (CID 71643949) is (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride.
What is the SMILES notation for (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride?
The canonical SMILES for (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride is Cl.N[C@H]1CCN(c2ncc(C(F)(F)F)cc2Cl)C1.
What is the InChIKey of (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride?
The InChIKey is VVGDIAITSWOAJC-FJXQXJEOSA-N. The full InChI is InChI=1S/C10H11ClF3N3.ClH/c11-8-3-6(10(12,13)14)4-16-9(8)17-2-1-7(15)5-17;/h3-4,7H,1-2,5,15H2;1H/t7-;/m0./s1.
What are the key properties of (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride?
(3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride has a molecular weight of 302.13 g/mol, XLogP of 2.71, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]pyrrolidin-3-amine;hydrochloride is sourced from PubChem (CID 71643949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).