5-ethynyl-2-fluoro-6-methylpyridin-3-amine

C8H7FN2 — CID 74888390

IUPAC5-ethynyl-2-fluoro-6-methylpyridin-3-amine
SMILESC#Cc1cc(N)c(F)nc1C
InChIInChI=1S/C8H7FN2/c1-3-6-4-7(10)8(9)11-5(6)2/h1,4H,10H2,2H3
InChIKeyNHQWMRQSOABXJD-UHFFFAOYSA-N
MW150.16 g/mol
LogP1.09
Rot. Bonds

About 5-ethynyl-2-fluoro-6-methylpyridin-3-amine

5-ethynyl-2-fluoro-6-methylpyridin-3-amine (PubChem CID 74888390) has the molecular formula C8H7FN2 and a molecular weight of 150.16 g/mol. Its IUPAC name is 5-ethynyl-2-fluoro-6-methylpyridin-3-amine.

Molecular Properties

Compound Name5-ethynyl-2-fluoro-6-methylpyridin-3-amine
PubChem CID74888390
Molecular FormulaC8H7FN2
Molecular Weight150.16 g/mol
Exact Mass150.06
IUPAC Name5-ethynyl-2-fluoro-6-methylpyridin-3-amine
SMILESC#Cc1cc(N)c(F)nc1C
InChIInChI=1S/C8H7FN2/c1-3-6-4-7(10)8(9)11-5(6)2/h1,4H,10H2,2H3
InChIKeyNHQWMRQSOABXJD-UHFFFAOYSA-N
XLogP1.09
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.16
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethyl-5-ethynyl-6-methylpyridin-2-amine
CID 74889226
2-fluoro-6-methyl-5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]pyridin-3-amine
CID 74789526
5-amino-2-(difluoromethyl)-6-fluoropyridine-3-carbonitrile
CID 130103195
6-ethynyl-3-methylpyridazin-4-amine
CID 171542326
5-chloro-2-ethynyl-4-fluoroaniline
CID 10997459
5-amino-2-methyl-6-(propan-2-ylamino)pyridine-3-carbonitrile
CID 171789789
4-ethynyl-3-fluoro-2-methylpyridine
CID 74889099
2-bromo-4-ethynyl-5-fluoroaniline
CID 153389992
5-ethynyl-3,6-difluoro-4-methylnaphthalen-2-amine
CID 176919371
ethane;5-ethynyl-6,7-difluoro-4-methyl-1,8-naphthyridin-2-amine
CID 176951041
2-(difluoromethyl)-6-fluoropyridine-3,5-diamine
CID 130098608
ethane;1-ethynyl-2,5-difluoro-4-methylbenzene
CID 143826354

Frequently Asked Questions

What is the IUPAC name of 5-ethynyl-2-fluoro-6-methylpyridin-3-amine?
The IUPAC name of 5-ethynyl-2-fluoro-6-methylpyridin-3-amine (CID 74888390) is 5-ethynyl-2-fluoro-6-methylpyridin-3-amine.
What is the SMILES notation for 5-ethynyl-2-fluoro-6-methylpyridin-3-amine?
The canonical SMILES for 5-ethynyl-2-fluoro-6-methylpyridin-3-amine is C#Cc1cc(N)c(F)nc1C.
What is the InChIKey of 5-ethynyl-2-fluoro-6-methylpyridin-3-amine?
The InChIKey is NHQWMRQSOABXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN2/c1-3-6-4-7(10)8(9)11-5(6)2/h1,4H,10H2,2H3.
What are the key properties of 5-ethynyl-2-fluoro-6-methylpyridin-3-amine?
5-ethynyl-2-fluoro-6-methylpyridin-3-amine has a molecular weight of 150.16 g/mol, XLogP of 1.09, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethynyl-2-fluoro-6-methylpyridin-3-amine is sourced from PubChem (CID 74888390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).