5-(difluoromethyl)-2-ethynylpyridin-4-amine

C8H6F2N2 — CID 171542066

IUPAC5-(difluoromethyl)-2-ethynylpyridin-4-amine
SMILESC#Cc1cc(N)c(C(F)F)cn1
InChIInChI=1S/C8H6F2N2/c1-2-5-3-7(11)6(4-12-5)8(9)10/h1,3-4,8H,(H2,11,12)
InChIKeySQBSIJREXUMKKS-UHFFFAOYSA-N
MW168.15 g/mol
LogP1.58
Rot. Bonds1

About 5-(difluoromethyl)-2-ethynylpyridin-4-amine

5-(difluoromethyl)-2-ethynylpyridin-4-amine (PubChem CID 171542066) has the molecular formula C8H6F2N2 and a molecular weight of 168.15 g/mol. Its IUPAC name is 5-(difluoromethyl)-2-ethynylpyridin-4-amine.

Molecular Properties

Compound Name5-(difluoromethyl)-2-ethynylpyridin-4-amine
PubChem CID171542066
Molecular FormulaC8H6F2N2
Molecular Weight168.15 g/mol
Exact Mass168.05
IUPAC Name5-(difluoromethyl)-2-ethynylpyridin-4-amine
SMILESC#Cc1cc(N)c(C(F)F)cn1
InChIInChI=1S/C8H6F2N2/c1-2-5-3-7(11)6(4-12-5)8(9)10/h1,3-4,8H,(H2,11,12)
InChIKeySQBSIJREXUMKKS-UHFFFAOYSA-N
XLogP1.58
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.15
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(difluoromethyl)-2-ethynylpyridin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-4-(difluoromethyl)pyridine-2-carbonitrile
CID 130094598
5-(difluoromethyl)-4-fluoropyridine-2-carbonitrile
CID 119007816
6-ethynyl-4-propan-2-ylpyridine-3-carbonitrile
CID 171723482
6-ethynyl-3-methylpyridazin-4-amine
CID 171542326
4-amino-5-(trifluoromethyl)pyridine-2-carbonitrile
CID 118844697
6-amino-5-(difluoromethyl)pyridine-3-carbonitrile
CID 130094585
5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine
CID 158129140
6-amino-5-(difluoromethyl)pyridin-3-ol
CID 118996069
5-ethynyl-3-fluoropyridin-2-amine
CID 74892202
5-chloro-2-ethynyl-4-methylpyridine
CID 74888663
4-amino-5-(difluoromethyl)-2-iodopyridine-3-carbaldehyde
CID 118833462
4-amino-3-bromo-5-(difluoromethyl)pyridine-2-carbonitrile
CID 118829099

Frequently Asked Questions

What is the IUPAC name of 5-(difluoromethyl)-2-ethynylpyridin-4-amine?
The IUPAC name of 5-(difluoromethyl)-2-ethynylpyridin-4-amine (CID 171542066) is 5-(difluoromethyl)-2-ethynylpyridin-4-amine.
What is the SMILES notation for 5-(difluoromethyl)-2-ethynylpyridin-4-amine?
The canonical SMILES for 5-(difluoromethyl)-2-ethynylpyridin-4-amine is C#Cc1cc(N)c(C(F)F)cn1.
What is the InChIKey of 5-(difluoromethyl)-2-ethynylpyridin-4-amine?
The InChIKey is SQBSIJREXUMKKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N2/c1-2-5-3-7(11)6(4-12-5)8(9)10/h1,3-4,8H,(H2,11,12).
What are the key properties of 5-(difluoromethyl)-2-ethynylpyridin-4-amine?
5-(difluoromethyl)-2-ethynylpyridin-4-amine has a molecular weight of 168.15 g/mol, XLogP of 1.58, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(difluoromethyl)-2-ethynylpyridin-4-amine is sourced from PubChem (CID 171542066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).