4-(difluoromethyl)-N-[(2R,4R)-4-methylpyrrolidin-2-yl]pyridin-2-amine

C11H15F2N3 — CID 121413471

IUPAC4-(difluoromethyl)-N-[(2R,4R)-4-methylpyrrolidin-2-yl]pyridin-2-amine
SMILESC[C@H]1CN[C@H](Nc2cc(C(F)F)ccn2)C1
InChIInChI=1S/C11H15F2N3/c1-7-4-9(15-6-7)16-10-5-8(11(12)13)2-3-14-10/h2-3,5,7,9,11,15H,4,6H2,1H3,(H,14,16)/t7-,9-/m1/s1
InChIKeyWEOVYHHIHFMSHU-VXNVDRBHSA-N
MW227.26 g/mol
LogP2.39
Rot. Bonds3

About 4-(difluoromethyl)-N-[(2R,4R)-4-methylpyrrolidin-2-yl]pyridin-2-amine

4-(difluoromethyl)-N-[(2R,4R)-4-methylpyrrolidin-2-yl]pyridin-2-amine (PubChem CID 121413471) has the molecular formula C11H15F2N3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 4-(difluoromethyl)-N-[(2R,4R)-4-methylpyrrolidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-(difluoromethyl)-N-[(2R,4R)-4-methylpyrrolidin-2-yl]pyridin-2-amine
PubChem CID121413471
Molecular FormulaC11H15F2N3
Molecular Weight227.26 g/mol
Exact Mass227.12
IUPAC Name4-(difluoromethyl)-N-[(2R,4R)-4-methylpyrrolidin-2-yl]pyridin-2-amine
SMILESC[C@H]1CN[C@H](Nc2cc(C(F)F)ccn2)C1
InChIInChI=1S/C11H15F2N3/c1-7-4-9(15-6-7)16-10-5-8(11(12)13)2-3-14-10/h2-3,5,7,9,11,15H,4,6H2,1H3,(H,14,16)/t7-,9-/m1/s1
InChIKeyWEOVYHHIHFMSHU-VXNVDRBHSA-N
XLogP2.39
TPSA36.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-N-[(2R,4R)-4-methylpyrrolidin-2-yl]pyridin-2-amine?
The IUPAC name of 4-(difluoromethyl)-N-[(2R,4R)-4-methylpyrrolidin-2-yl]pyridin-2-amine (CID 121413471) is 4-(difluoromethyl)-N-[(2R,4R)-4-methylpyrrolidin-2-yl]pyridin-2-amine.
What is the SMILES notation for 4-(difluoromethyl)-N-[(2R,4R)-4-methylpyrrolidin-2-yl]pyridin-2-amine?
The canonical SMILES for 4-(difluoromethyl)-N-[(2R,4R)-4-methylpyrrolidin-2-yl]pyridin-2-amine is C[C@H]1CN[C@H](Nc2cc(C(F)F)ccn2)C1.
What is the InChIKey of 4-(difluoromethyl)-N-[(2R,4R)-4-methylpyrrolidin-2-yl]pyridin-2-amine?
The InChIKey is WEOVYHHIHFMSHU-VXNVDRBHSA-N. The full InChI is InChI=1S/C11H15F2N3/c1-7-4-9(15-6-7)16-10-5-8(11(12)13)2-3-14-10/h2-3,5,7,9,11,15H,4,6H2,1H3,(H,14,16)/t7-,9-/m1/s1.
What are the key properties of 4-(difluoromethyl)-N-[(2R,4R)-4-methylpyrrolidin-2-yl]pyridin-2-amine?
4-(difluoromethyl)-N-[(2R,4R)-4-methylpyrrolidin-2-yl]pyridin-2-amine has a molecular weight of 227.26 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-N-[(2R,4R)-4-methylpyrrolidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 121413471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).