2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyridin-3-amine

C10H13F2N3 — CID 129498833

IUPAC2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyridin-3-amine
SMILESNc1cccnc1N1CC[C@H](C(F)F)C1
InChIInChI=1S/C10H13F2N3/c11-9(12)7-3-5-15(6-7)10-8(13)2-1-4-14-10/h1-2,4,7,9H,3,5-6,13H2/t7-/m0/s1
InChIKeyQTEMAIKPRDDUJE-ZETCQYMHSA-N
MW213.23 g/mol
LogP1.76
Rot. Bonds2

About 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyridin-3-amine

2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyridin-3-amine (PubChem CID 129498833) has the molecular formula C10H13F2N3 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyridin-3-amine
PubChem CID129498833
Molecular FormulaC10H13F2N3
Molecular Weight213.23 g/mol
Exact Mass213.11
IUPAC Name2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyridin-3-amine
SMILESNc1cccnc1N1CC[C@H](C(F)F)C1
InChIInChI=1S/C10H13F2N3/c11-9(12)7-3-5-15(6-7)10-8(13)2-1-4-14-10/h1-2,4,7,9H,3,5-6,13H2/t7-/m0/s1
InChIKeyQTEMAIKPRDDUJE-ZETCQYMHSA-N
XLogP1.76
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3R)-3-(difluoromethyl)piperidin-1-yl]pyridin-3-amine
CID 129493941
2-[3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 121201168
2-[(3R)-3-(difluoromethyl)pyrrolidin-1-yl]pyridine-3-carboxylic acid
CID 129499940
2-[3-(difluoromethyl)pyrrolidin-1-yl]-3-ethylsulfonylpyridine
CID 154780352
2-chloro-3-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyrazine
CID 129499164
[2-[4-(difluoromethyl)piperidin-1-yl]-3-pyridinyl]methanamine
CID 175948489
(3R,4R)-1-(3-amino-2-pyridinyl)-3-methylpiperidin-4-ol
CID 129445700
2-(azocan-1-yl)pyridin-3-amine
CID 28799710
2-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)pyridin-3-amine
CID 66391110
2-(3-ethyl-4-methylpiperazin-1-yl)pyridin-3-amine
CID 63610642
4-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]aniline
CID 129499176
2-[(3R,5S)-3,5-dimethylpiperidin-1-yl]pyridin-3-amine
CID 28845965

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyridin-3-amine?
The IUPAC name of 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyridin-3-amine (CID 129498833) is 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyridin-3-amine.
What is the SMILES notation for 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyridin-3-amine?
The canonical SMILES for 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyridin-3-amine is Nc1cccnc1N1CC[C@H](C(F)F)C1.
What is the InChIKey of 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyridin-3-amine?
The InChIKey is QTEMAIKPRDDUJE-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H13F2N3/c11-9(12)7-3-5-15(6-7)10-8(13)2-1-4-14-10/h1-2,4,7,9H,3,5-6,13H2/t7-/m0/s1.
What are the key properties of 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyridin-3-amine?
2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyridin-3-amine has a molecular weight of 213.23 g/mol, XLogP of 1.76, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-(difluoromethyl)pyrrolidin-1-yl]pyridin-3-amine is sourced from PubChem (CID 129498833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).