4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine

C10H10F2N2 — CID 170465388

IUPAC4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine
SMILESCNCCC#Cc1cc(F)nc(F)c1
InChIInChI=1S/C10H10F2N2/c1-13-5-3-2-4-8-6-9(11)14-10(12)7-8/h6-7,13H,3,5H2,1H3
InChIKeyGSMCNGSENAOCOL-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.32
Rot. Bonds2

About 4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine

4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine (PubChem CID 170465388) has the molecular formula C10H10F2N2 and a molecular weight of 196.20 g/mol. Its IUPAC name is 4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine.

Molecular Properties

Compound Name4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine
PubChem CID170465388
Molecular FormulaC10H10F2N2
Molecular Weight196.20 g/mol
Exact Mass196.08
IUPAC Name4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine
SMILESCNCCC#Cc1cc(F)nc(F)c1
InChIInChI=1S/C10H10F2N2/c1-13-5-3-2-4-8-6-9(11)14-10(12)7-8/h6-7,13H,3,5H2,1H3
InChIKeyGSMCNGSENAOCOL-UHFFFAOYSA-N
XLogP1.32
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-[3-fluoro-5-(trifluoromethyl)phenyl]-N-methylbut-3-yn-1-amine
CID 170464812
2,6-difluoro-4-[4-(methylamino)but-1-ynyl]benzoic acid
CID 170464861
4-[4-(methylamino)but-1-ynyl]phenol
CID 170463741
3-fluoro-5-[4-(methylamino)but-1-ynyl]benzoic acid
CID 170464556
4-(3,4-dichlorophenyl)-N-methylbut-3-yn-1-amine
CID 170463870
2-fluoro-5-[4-(methylamino)but-1-ynyl]pyridine-3-carboxylic acid
CID 170464706
3-[4-(methylamino)but-1-ynyl]-5-(trifluoromethyl)benzonitrile
CID 170465189
4-(3-bromo-5-chlorophenyl)-N-methylbut-3-yn-1-amine
CID 170465367
3-chloro-5-[4-(methylamino)but-1-ynyl]phenol
CID 170463889
N-methyl-4-[4-methyl-3-(trifluoromethyl)phenyl]but-3-yn-1-amine
CID 170464790
6-[4-(methylamino)but-1-ynyl]naphthalen-2-amine
CID 170465057
3,5-difluoro-4-[4-(methylamino)but-1-ynyl]phenol
CID 170464242

Frequently Asked Questions

What is the IUPAC name of 4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine?
The IUPAC name of 4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine (CID 170465388) is 4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine.
What is the SMILES notation for 4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine?
The canonical SMILES for 4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine is CNCCC#Cc1cc(F)nc(F)c1.
What is the InChIKey of 4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine?
The InChIKey is GSMCNGSENAOCOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2/c1-13-5-3-2-4-8-6-9(11)14-10(12)7-8/h6-7,13H,3,5H2,1H3.
What are the key properties of 4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine?
4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine has a molecular weight of 196.20 g/mol, XLogP of 1.32, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6-difluoro-4-pyridinyl)-N-methylbut-3-yn-1-amine is sourced from PubChem (CID 170465388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).