2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine

C13H12ClFN2 — CID 43690097

IUPAC2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
SMILESCC(Nc1cccnc1Cl)c1cccc(F)c1
InChIInChI=1S/C13H12ClFN2/c1-9(10-4-2-5-11(15)8-10)17-12-6-3-7-16-13(12)14/h2-9,17H,1H3
InChIKeySCMZGWBIJBGZIF-UHFFFAOYSA-N
MW250.70 g/mol
LogP4.05
Rot. Bonds3

About 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine

2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine (PubChem CID 43690097) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine.

Molecular Properties

Compound Name2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
PubChem CID43690097
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine
SMILESCC(Nc1cccnc1Cl)c1cccc(F)c1
InChIInChI=1S/C13H12ClFN2/c1-9(10-4-2-5-11(15)8-10)17-12-6-3-7-16-13(12)14/h2-9,17H,1H3
InChIKeySCMZGWBIJBGZIF-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

2-chloro-N-[1-(4-chloro-3-fluorophenyl)ethyl]pyridin-3-amine
CID 83069299
N-[1-(3-fluorophenyl)ethyl]-2-propan-2-yloxypyridin-3-amine
CID 61374230
5-chloro-N-[1-(3-fluorophenyl)ethyl]quinolin-8-amine
CID 60928480
4-[1-[(2-chloro-3-pyridinyl)amino]ethyl]phenol
CID 43689985
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyrimidin-4-amine
CID 62342660
3,4-dichloro-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43096359
2-tert-butyl-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43682980
4-chloro-N-[1-(3-fluorophenyl)ethyl]-2-iodoaniline
CID 107632466
2-chloro-N-(1-pyridin-2-ylethyl)pyridin-3-amine
CID 43689899
N-[1-(3-fluorophenyl)ethyl]-3-iodo-2-methylaniline
CID 114256809
N-[1-(3-chlorophenyl)ethyl]quinolin-8-amine
CID 43093613
2-ethoxy-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43191738

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine?
The IUPAC name of 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine (CID 43690097) is 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine.
What is the SMILES notation for 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine?
The canonical SMILES for 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine is CC(Nc1cccnc1Cl)c1cccc(F)c1.
What is the InChIKey of 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine?
The InChIKey is SCMZGWBIJBGZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-9(10-4-2-5-11(15)8-10)17-12-6-3-7-16-13(12)14/h2-9,17H,1H3.
What are the key properties of 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine?
2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-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 2-chloro-N-[1-(3-fluorophenyl)ethyl]pyridin-3-amine is sourced from PubChem (CID 43690097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).