1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone

C14H12ClFN2O — CID 82803269

IUPAC1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone
SMILESCc1ccnc(N)c1C(=O)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H12ClFN2O/c1-8-5-6-18-14(17)12(8)11(19)7-9-3-2-4-10(15)13(9)16/h2-6H,7H2,1H3,(H2,17,18)
InChIKeyJBSLHNLINDGLDV-UHFFFAOYSA-N
MW278.71 g/mol
LogP3.19
Rot. Bonds3

About 1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone

1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone (PubChem CID 82803269) has the molecular formula C14H12ClFN2O and a molecular weight of 278.71 g/mol. Its IUPAC name is 1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone.

Molecular Properties

Compound Name1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone
PubChem CID82803269
Molecular FormulaC14H12ClFN2O
Molecular Weight278.71 g/mol
Exact Mass278.06
IUPAC Name1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone
SMILESCc1ccnc(N)c1C(=O)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H12ClFN2O/c1-8-5-6-18-14(17)12(8)11(19)7-9-3-2-4-10(15)13(9)16/h2-6H,7H2,1H3,(H2,17,18)
InChIKeyJBSLHNLINDGLDV-UHFFFAOYSA-N
XLogP3.19
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.71
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-2-fluorophenyl)-1-(2,3-dimethylphenyl)ethanone
CID 82802598
2-(3-chloro-2-fluorophenyl)-1-(3,4-dimethylphenyl)ethanone
CID 82802493
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-3-methylphenyl)ethanone
CID 82801937
2-(3-chloro-2-fluorophenyl)-1-(3-fluoro-4-methylphenyl)ethanone
CID 102857168
2-(3-chloro-2-fluorophenyl)-1-(4-fluoro-2-methylphenyl)ethanone
CID 82803043
2-(3-chloro-2-fluorophenyl)-1-(3,5-dimethylphenyl)ethanone
CID 82802596
2-(3-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanone
CID 114219106
2-(3-chloro-2-fluorophenyl)acetamide
CID 91291585
2-(3-chloro-2-fluorophenyl)-1-(2,3-dichlorophenyl)ethanone
CID 82802165
2-(2-chlorophenyl)-1-(2,6-difluoro-3-methylphenyl)ethanone
CID 82815251
1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
CID 82802957
2-(3-chloro-2-fluorophenyl)-1-(1,3-thiazol-4-yl)ethanone
CID 102857277

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone?
The IUPAC name of 1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone (CID 82803269) is 1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone.
What is the SMILES notation for 1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone?
The canonical SMILES for 1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone is Cc1ccnc(N)c1C(=O)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone?
The InChIKey is JBSLHNLINDGLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClFN2O/c1-8-5-6-18-14(17)12(8)11(19)7-9-3-2-4-10(15)13(9)16/h2-6H,7H2,1H3,(H2,17,18).
What are the key properties of 1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone?
1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone has a molecular weight of 278.71 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-methyl-3-pyridinyl)-2-(3-chloro-2-fluorophenyl)ethanone is sourced from PubChem (CID 82803269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).