3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine

C12H15ClF3N3 — CID 55206297

IUPAC3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine
SMILESCCN(c1ncc(C(F)(F)F)cc1Cl)C1CCNC1
InChIInChI=1S/C12H15ClF3N3/c1-2-19(9-3-4-17-7-9)11-10(13)5-8(6-18-11)12(14,15)16/h5-6,9,17H,2-4,7H2,1H3
InChIKeyWSVHJYIMTQVVHL-UHFFFAOYSA-N
MW293.72 g/mol
LogP2.94
Rot. Bonds3

About 3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine

3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 55206297) has the molecular formula C12H15ClF3N3 and a molecular weight of 293.72 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine
PubChem CID55206297
Molecular FormulaC12H15ClF3N3
Molecular Weight293.72 g/mol
Exact Mass293.09
IUPAC Name3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine
SMILESCCN(c1ncc(C(F)(F)F)cc1Cl)C1CCNC1
InChIInChI=1S/C12H15ClF3N3/c1-2-19(9-3-4-17-7-9)11-10(13)5-8(6-18-11)12(14,15)16/h5-6,9,17H,2-4,7H2,1H3
InChIKeyWSVHJYIMTQVVHL-UHFFFAOYSA-N
XLogP2.94
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-4-N-ethylcyclohexane-1,4-diamine
CID 79114166
3-chloro-N-methyl-N-[[(3S)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164580
3-chloro-N-methyl-N-[[(3R)-pyrrolidin-3-yl]methyl]-5-(trifluoromethyl)pyridin-2-amine
CID 97164579
3-chloro-N-methyl-N-[(3R)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine
CID 71640871
3-chloro-N-methyl-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyridin-2-amine;hydrochloride
CID 71641080
N-ethyl-3,5-difluoro-N-piperidin-3-ylpyridin-2-amine
CID 112676152
5-chloro-N-propyl-N-pyrrolidin-3-ylpyrimidin-4-amine
CID 105369954
2-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-cyclopropylamino]acetic acid
CID 54945709
3-chloro-N,N-dimethyl-5-(trifluoromethyl)pyridin-2-amine
CID 14933767
N-ethyl-3-methyl-5-nitro-N-pyrrolidin-3-ylpyridin-2-amine
CID 63300013
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]amino]-N-propyl-N-pyrrolidin-3-ylpropanamide;dihydrochloride
CID 119531011
3,5-difluoro-N-propyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 112676147

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of 3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine (CID 55206297) is 3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for 3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for 3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine is CCN(c1ncc(C(F)(F)F)cc1Cl)C1CCNC1.
What is the InChIKey of 3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is WSVHJYIMTQVVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClF3N3/c1-2-19(9-3-4-17-7-9)11-10(13)5-8(6-18-11)12(14,15)16/h5-6,9,17H,2-4,7H2,1H3.
What are the key properties of 3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine?
3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 293.72 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-pyrrolidin-3-yl-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 55206297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).