2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine

C13H12ClFN2 — CID 114012684

IUPAC2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine
SMILESNC(Cc1ccc(Cl)c(F)c1)c1ccncc1
InChIInChI=1S/C13H12ClFN2/c14-11-2-1-9(7-12(11)15)8-13(16)10-3-5-17-6-4-10/h1-7,13H,8,16H2
InChIKeyDXSODQGPXHPPNE-UHFFFAOYSA-N
MW250.70 g/mol
LogP3.12
Rot. Bonds3

About 2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine

2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine (PubChem CID 114012684) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine.

Molecular Properties

Compound Name2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine
PubChem CID114012684
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine
SMILESNC(Cc1ccc(Cl)c(F)c1)c1ccncc1
InChIInChI=1S/C13H12ClFN2/c14-11-2-1-9(7-12(11)15)8-13(16)10-3-5-17-6-4-10/h1-7,13H,8,16H2
InChIKeyDXSODQGPXHPPNE-UHFFFAOYSA-N
XLogP3.12
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.70
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3-bromo-4-chlorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885076
2-(3-chloro-4-fluorophenyl)-1-(4-chloro-3-fluorophenyl)ethanamine
CID 107995842
2-(4-chloro-3-fluorophenyl)-1-(3-fluoro-5-methylphenyl)ethanamine
CID 107885041
1-(4-chloro-3-fluorophenyl)-2-(4-chlorophenyl)ethanamine
CID 107988757
1-(4-bromo-3,5-dimethylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107885245
1-(4-chloro-2,5-difluorophenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107892584
1-(4-chloro-3-fluorophenyl)-N-methyl-3-pyridin-4-ylpropan-2-amine
CID 107884648
1-(3-bromo-5-methylphenyl)-2-(4-chloro-3-fluorophenyl)ethanamine
CID 107891519
2-(3-chloro-4-fluorophenyl)-1-phenylethanamine
CID 81144923
1-(4-chloro-3-fluorophenyl)-2-phenylethanamine
CID 107988729
2-(4-chloro-3-fluorophenyl)-1-(2,6-dimethyl-3-pyridinyl)ethanamine
CID 107891606
1-(4-chloro-3-fluorophenyl)-3-methylbutan-2-amine
CID 115347398

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine?
The IUPAC name of 2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine (CID 114012684) is 2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine.
What is the SMILES notation for 2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine?
The canonical SMILES for 2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine is NC(Cc1ccc(Cl)c(F)c1)c1ccncc1.
What is the InChIKey of 2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine?
The InChIKey is DXSODQGPXHPPNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c14-11-2-1-9(7-12(11)15)8-13(16)10-3-5-17-6-4-10/h1-7,13H,8,16H2.
What are the key properties of 2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine?
2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine has a molecular weight of 250.70 g/mol, XLogP of 3.12, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-3-fluorophenyl)-1-pyridin-4-ylethanamine is sourced from PubChem (CID 114012684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).