6-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine

C13H12ClFN2 — CID 86620619

IUPAC6-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine
SMILESC[C@H](Nc1cccc(Cl)n1)c1ccc(F)cc1
InChIInChI=1S/C13H12ClFN2/c1-9(10-5-7-11(15)8-6-10)16-13-4-2-3-12(14)17-13/h2-9H,1H3,(H,16,17)/t9-/m0/s1
InChIKeyHBSBLNPGYCNQTD-VIFPVBQESA-N
MW250.70 g/mol
LogP4.05
Rot. Bonds3

About 6-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine

6-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine (PubChem CID 86620619) has the molecular formula C13H12ClFN2 and a molecular weight of 250.70 g/mol. Its IUPAC name is 6-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine
PubChem CID86620619
Molecular FormulaC13H12ClFN2
Molecular Weight250.70 g/mol
Exact Mass250.07
IUPAC Name6-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine
SMILESC[C@H](Nc1cccc(Cl)n1)c1ccc(F)cc1
InChIInChI=1S/C13H12ClFN2/c1-9(10-5-7-11(15)8-6-10)16-13-4-2-3-12(14)17-13/h2-9H,1H3,(H,16,17)/t9-/m0/s1
InChIKeyHBSBLNPGYCNQTD-VIFPVBQESA-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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
The IUPAC name of 6-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine (CID 86620619) is 6-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine is C[C@H](Nc1cccc(Cl)n1)c1ccc(F)cc1.
What is the InChIKey of 6-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
The InChIKey is HBSBLNPGYCNQTD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H12ClFN2/c1-9(10-5-7-11(15)8-6-10)16-13-4-2-3-12(14)17-13/h2-9H,1H3,(H,16,17)/t9-/m0/s1.
What are the key properties of 6-chloro-N-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine?
6-chloro-N-[(1S)-1-(4-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-[(1S)-1-(4-fluorophenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 86620619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).