6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine

C13H12ClFN2 — CID 63586892

IUPAC6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
SMILESCC(Nc1cccc(Cl)n1)c1ccccc1F
InChIInChI=1S/C13H12ClFN2/c1-9(10-5-2-3-6-11(10)15)16-13-8-4-7-12(14)17-13/h2-9H,1H3,(H,16,17)
InChIKeyVEVVVQBXSAKRNN-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.05
Rot. Bonds3

About 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine

6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine (PubChem CID 63586892) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
PubChem CID63586892
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine
SMILESCC(Nc1cccc(Cl)n1)c1ccccc1F
InChIInChI=1S/C13H12ClFN2/c1-9(10-5-2-3-6-11(10)15)16-13-8-4-7-12(14)17-13/h2-9H,1H3,(H,16,17)
InChIKeyVEVVVQBXSAKRNN-UHFFFAOYSA-N
XLogP4.05
TPSA24.92 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 ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-N-[1-(2-fluorophenyl)ethyl]-2-N-propylpyridine-2,6-diamine
CID 80802273
6-chloro-2-N-[1-(2-fluorophenyl)ethyl]pyridine-2,3-diamine
CID 115473918
4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801582
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765
2-N-[1-(2-fluorophenyl)ethyl]-6-N-methylpyrazine-2,6-diamine
CID 80802046
4-[1-(2-fluorophenyl)ethylamino]-2-methyl-1H-pyrimidin-6-one
CID 137016292
2-fluoro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43194893
N-[(1R)-1-(2-fluorophenyl)ethyl]pyridin-4-amine
CID 94222755
2,4,5-trichloro-N-[1-(2-fluorophenyl)ethyl]aniline
CID 43108233
N-[1-(2-fluorophenyl)ethyl]-6-hydrazinyl-2-propan-2-ylpyrimidin-4-amine
CID 80964999
methyl 6-[1-(2-fluorophenyl)ethylamino]pyrazine-2-carboxylate
CID 66456508
5-chloro-4-N-[1-(2-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80801581

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine (CID 63586892) is 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine is CC(Nc1cccc(Cl)n1)c1ccccc1F.
What is the InChIKey of 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is VEVVVQBXSAKRNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-9(10-5-2-3-6-11(10)15)16-13-8-4-7-12(14)17-13/h2-9H,1H3,(H,16,17).
What are the key properties of 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine?
6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine has a molecular weight of 250.70 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[1-(2-fluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 63586892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).