2-[2-(3,5-difluorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride

C14H11ClF2N2 — CID 18454768

IUPAC2-[2-(3,5-difluorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride
SMILESCc1ccc(N)c(C#Cc2cc(F)cc(F)c2)n1.Cl
InChIInChI=1S/C14H10F2N2.ClH/c1-9-2-4-13(17)14(18-9)5-3-10-6-11(15)8-12(16)7-10;/h2,4,6-8H,17H2,1H3;1H
InChIKeyGGAGVKHTVDEPRG-UHFFFAOYSA-N
MW280.71 g/mol
LogP3.07
Rot. Bonds

About 2-[2-(3,5-difluorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride

2-[2-(3,5-difluorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride (PubChem CID 18454768) has the molecular formula C14H11ClF2N2 and a molecular weight of 280.71 g/mol. Its IUPAC name is 2-[2-(3,5-difluorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride.

Molecular Properties

Compound Name2-[2-(3,5-difluorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride
PubChem CID18454768
Molecular FormulaC14H11ClF2N2
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC Name2-[2-(3,5-difluorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride
SMILESCc1ccc(N)c(C#Cc2cc(F)cc(F)c2)n1.Cl
InChIInChI=1S/C14H10F2N2.ClH/c1-9-2-4-13(17)14(18-9)5-3-10-6-11(15)8-12(16)7-10;/h2,4,6-8H,17H2,1H3;1H
InChIKeyGGAGVKHTVDEPRG-UHFFFAOYSA-N
XLogP3.07
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 53.07
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

[4-[2-(3,5-difluorophenyl)ethynyl]phenyl]-trimethylsilane
CID 86078696
2-N-(2,6-dichloro-4-fluorophenyl)-6-methylpyridine-2,3-diamine
CID 83076948
2,6-dimethylpyridin-3-amine;ethane
CID 142906419
CID 136866068
CID 136866068
3-[2-(2-aminopyrimidin-4-yl)ethynyl]-5-fluorobenzonitrile;hydrochloride
CID 173149178
N-(2-amino-4,6-difluorophenyl)-2,6-dimethylpyridine-3-carboxamide
CID 81313433
(3,5-difluorophenyl)-(2,6-dimethyl-3-pyridinyl)methanamine
CID 105142017
4-[2-(3-ethynyl-5-fluorophenyl)ethynyl]-2-methylpyrimidine
CID 59853763
2-(difluoromethoxy)-6-methylpyridin-3-amine;hydrochloride
CID 153372099
1,3-difluoro-5-(2-iodoethynyl)benzene
CID 102221319
6-methyl-2-propylpyridin-3-amine
CID 130537722
3-(3-amino-6-fluoro-2-pyridinyl)prop-2-yn-1-ol
CID 169484749

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3,5-difluorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride?
The IUPAC name of 2-[2-(3,5-difluorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride (CID 18454768) is 2-[2-(3,5-difluorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride.
What is the SMILES notation for 2-[2-(3,5-difluorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride?
The canonical SMILES for 2-[2-(3,5-difluorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride is Cc1ccc(N)c(C#Cc2cc(F)cc(F)c2)n1.Cl.
What is the InChIKey of 2-[2-(3,5-difluorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride?
The InChIKey is GGAGVKHTVDEPRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2N2.ClH/c1-9-2-4-13(17)14(18-9)5-3-10-6-11(15)8-12(16)7-10;/h2,4,6-8H,17H2,1H3;1H.
What are the key properties of 2-[2-(3,5-difluorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride?
2-[2-(3,5-difluorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride has a molecular weight of 280.71 g/mol, XLogP of 3.07, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3,5-difluorophenyl)ethynyl]-6-methylpyridin-3-amine;hydrochloride is sourced from PubChem (CID 18454768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).