(2S)-5-(4-chloro-5-fluoro-3-pyridinyl)pent-4-yn-2-amine

C10H10ClFN2 — CID 178023999

IUPAC(2S)-5-(4-chloro-5-fluoro-3-pyridinyl)pent-4-yn-2-amine
SMILESC[C@H](N)CC#Cc1cncc(F)c1Cl
InChIInChI=1S/C10H10ClFN2/c1-7(13)3-2-4-8-5-14-6-9(12)10(8)11/h5-7H,3,13H2,1H3/t7-/m0/s1
InChIKeyMYJCYPRGTUMDTK-ZETCQYMHSA-N
MW212.66 g/mol
LogP1.96
Rot. Bonds1

About (2S)-5-(4-chloro-5-fluoro-3-pyridinyl)pent-4-yn-2-amine

(2S)-5-(4-chloro-5-fluoro-3-pyridinyl)pent-4-yn-2-amine (PubChem CID 178023999) has the molecular formula C10H10ClFN2 and a molecular weight of 212.66 g/mol. Its IUPAC name is (2S)-5-(4-chloro-5-fluoro-3-pyridinyl)pent-4-yn-2-amine.

Molecular Properties

Compound Name(2S)-5-(4-chloro-5-fluoro-3-pyridinyl)pent-4-yn-2-amine
PubChem CID178023999
Molecular FormulaC10H10ClFN2
Molecular Weight212.66 g/mol
Exact Mass212.05
IUPAC Name(2S)-5-(4-chloro-5-fluoro-3-pyridinyl)pent-4-yn-2-amine
SMILESC[C@H](N)CC#Cc1cncc(F)c1Cl
InChIInChI=1S/C10H10ClFN2/c1-7(13)3-2-4-8-5-14-6-9(12)10(8)11/h5-7H,3,13H2,1H3/t7-/m0/s1
InChIKeyMYJCYPRGTUMDTK-ZETCQYMHSA-N
XLogP1.96
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.66
LogP ≤ 51.96
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

1-(3-fluoro-4-pyridinyl)hex-1-yn-3-amine
CID 106226030
4-chloro-3-(difluoromethyl)-5-fluoropyridine
CID 130095389
(1R)-1-(3,5-difluoro-4-pyridinyl)-2-methylpropan-1-amine
CID 130631106
3-fluoro-4-[2-(3-fluoro-4-pyridinyl)ethynyl]pyridine
CID 177485987
(1R,2S)-1-amino-1-(3,5-difluoro-4-pyridinyl)propan-2-ol
CID 55272818
4-chloro-5-fluoropyridine-3-carboxamide
CID 99981298
3-amino-3-(3,5-difluoro-4-pyridinyl)propan-1-ol
CID 55272447
1-(5-fluoro-3-pyridinyl)propan-2-amine
CID 81020858
1-[(3,5-dichloro-4-pyridinyl)oxy]propan-2-amine
CID 119082698
(3R)-3-amino-3-(3-fluoro-4-pyridinyl)propanenitrile
CID 55276827
3-chloro-4-ethynyl-5-fluoropyridine
CID 74891516
2-(3-fluoro-4-pyridinyl)propan-1-amine
CID 84649949

Frequently Asked Questions

What is the IUPAC name of (2S)-5-(4-chloro-5-fluoro-3-pyridinyl)pent-4-yn-2-amine?
The IUPAC name of (2S)-5-(4-chloro-5-fluoro-3-pyridinyl)pent-4-yn-2-amine (CID 178023999) is (2S)-5-(4-chloro-5-fluoro-3-pyridinyl)pent-4-yn-2-amine.
What is the SMILES notation for (2S)-5-(4-chloro-5-fluoro-3-pyridinyl)pent-4-yn-2-amine?
The canonical SMILES for (2S)-5-(4-chloro-5-fluoro-3-pyridinyl)pent-4-yn-2-amine is C[C@H](N)CC#Cc1cncc(F)c1Cl.
What is the InChIKey of (2S)-5-(4-chloro-5-fluoro-3-pyridinyl)pent-4-yn-2-amine?
The InChIKey is MYJCYPRGTUMDTK-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H10ClFN2/c1-7(13)3-2-4-8-5-14-6-9(12)10(8)11/h5-7H,3,13H2,1H3/t7-/m0/s1.
What are the key properties of (2S)-5-(4-chloro-5-fluoro-3-pyridinyl)pent-4-yn-2-amine?
(2S)-5-(4-chloro-5-fluoro-3-pyridinyl)pent-4-yn-2-amine has a molecular weight of 212.66 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-5-(4-chloro-5-fluoro-3-pyridinyl)pent-4-yn-2-amine is sourced from PubChem (CID 178023999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).