3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine

C10H10F2N2 — CID 106231403

IUPAC3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine
SMILESC#CC(CC)Nc1ncc(F)cc1F
InChIInChI=1S/C10H10F2N2/c1-3-8(4-2)14-10-9(12)5-7(11)6-13-10/h1,5-6,8H,4H2,2H3,(H,13,14)
InChIKeyVHPIYCSZBVVRIU-UHFFFAOYSA-N
MW196.20 g/mol
LogP2.18
Rot. Bonds3

About 3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine

3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine (PubChem CID 106231403) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine.

Molecular Properties

Compound Name3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine
PubChem CID106231403
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine
SMILESC#CC(CC)Nc1ncc(F)cc1F
InChIInChI=1S/C10H10F2N2/c1-3-8(4-2)14-10-9(12)5-7(11)6-13-10/h1,5-6,8H,4H2,2H3,(H,13,14)
InChIKeyVHPIYCSZBVVRIU-UHFFFAOYSA-N
XLogP2.18
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3,5-difluoro-N-(1-phenylpropyl)pyridin-2-amine
CID 112675813
N-[1-(4-ethylphenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675669
3,5-difluoro-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
CID 112675753
5-bromo-N-pent-1-yn-3-ylpyrimidin-4-amine
CID 103578161
N-[1-(2-aminophenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112676271
3,5-difluoro-N-[1-(3-fluoro-4-methylphenyl)ethyl]pyridin-2-amine
CID 112675991
N-(3,3-difluoropropyl)-3,5-difluoropyridin-2-amine
CID 127013338
5-bromo-N-pent-1-yn-3-ylpyrimidin-2-amine
CID 103578187
N-[1-(2,4-dichlorophenyl)ethyl]-3,5-difluoropyridin-2-amine
CID 112675534
N-(1-cyclohexylethyl)-3,5-difluoropyridin-2-amine
CID 112675822
3,5-difluoro-N-(3-methyl-2-propan-2-ylbutyl)pyridin-2-amine
CID 102913974
2-[(3,5-difluoro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407924

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine?
The IUPAC name of 3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine (CID 106231403) is 3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine.
What is the SMILES notation for 3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine?
The canonical SMILES for 3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine is C#CC(CC)Nc1ncc(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine?
The InChIKey is VHPIYCSZBVVRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c1-3-8(4-2)14-10-9(12)5-7(11)6-13-10/h1,5-6,8H,4H2,2H3,(H,13,14).
What are the key properties of 3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine?
3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine has a molecular weight of 196.20 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-pent-1-yn-3-ylpyridin-2-amine is sourced from PubChem (CID 106231403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).