2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-phenylpropan-1-ol

C14H14ClFN2O — CID 79727233

IUPAC2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)Nc1ncc(Cl)cc1F
InChIInChI=1S/C14H14ClFN2O/c15-11-7-13(16)14(17-8-11)18-12(9-19)6-10-4-2-1-3-5-10/h1-5,7-8,12,19H,6,9H2,(H,17,18)
InChIKeyBVYGKSXFGDVMHP-UHFFFAOYSA-N
MW280.73 g/mol
LogP2.89
Rot. Bonds5

About 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-phenylpropan-1-ol

2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-phenylpropan-1-ol (PubChem CID 79727233) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-phenylpropan-1-ol
PubChem CID79727233
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-phenylpropan-1-ol
SMILESOCC(Cc1ccccc1)Nc1ncc(Cl)cc1F
InChIInChI=1S/C14H14ClFN2O/c15-11-7-13(16)14(17-8-11)18-12(9-19)6-10-4-2-1-3-5-10/h1-5,7-8,12,19H,6,9H2,(H,17,18)
InChIKeyBVYGKSXFGDVMHP-UHFFFAOYSA-N
XLogP2.89
TPSA45.15 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-phenylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-phenylpropan-1-ol?
The IUPAC name of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-phenylpropan-1-ol (CID 79727233) is 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-phenylpropan-1-ol.
What is the SMILES notation for 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-phenylpropan-1-ol?
The canonical SMILES for 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-phenylpropan-1-ol is OCC(Cc1ccccc1)Nc1ncc(Cl)cc1F.
What is the InChIKey of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-phenylpropan-1-ol?
The InChIKey is BVYGKSXFGDVMHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c15-11-7-13(16)14(17-8-11)18-12(9-19)6-10-4-2-1-3-5-10/h1-5,7-8,12,19H,6,9H2,(H,17,18).
What are the key properties of 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-phenylpropan-1-ol?
2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-phenylpropan-1-ol has a molecular weight of 280.73 g/mol, XLogP of 2.89, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-chloro-3-fluoro-2-pyridinyl)amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 79727233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).