3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol

C14H14ClFN2O — CID 81262776

IUPAC3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol
SMILESNCC(c1cccnc1)C(O)c1cccc(Cl)c1F
InChIInChI=1S/C14H14ClFN2O/c15-12-5-1-4-10(13(12)16)14(19)11(7-17)9-3-2-6-18-8-9/h1-6,8,11,14,19H,7,17H2
InChIKeyHKXFORDVRRLHQI-UHFFFAOYSA-N
MW280.73 g/mol
LogP2.65
Rot. Bonds4

About 3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol

3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol (PubChem CID 81262776) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol.

Molecular Properties

Compound Name3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol
PubChem CID81262776
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol
SMILESNCC(c1cccnc1)C(O)c1cccc(Cl)c1F
InChIInChI=1S/C14H14ClFN2O/c15-12-5-1-4-10(13(12)16)14(19)11(7-17)9-3-2-6-18-8-9/h1-6,8,11,14,19H,7,17H2
InChIKeyHKXFORDVRRLHQI-UHFFFAOYSA-N
XLogP2.65
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.73
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-1-(2-chlorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523261
3-amino-2-pyridin-3-yl-1-[2-(trifluoromethyl)phenyl]propan-1-ol
CID 80522600
3-amino-1-(2,5-difluorophenyl)-2-pyridin-3-ylpropan-1-ol
CID 80523241
3-amino-1-(2-chlorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 80525726
3-amino-1-pyridin-3-yl-2-pyridin-4-ylpropan-1-ol
CID 80525679
3-amino-2-(3-chloro-2-fluorophenyl)-1-(3-methoxyphenyl)propan-1-ol
CID 82792629
2-(aminomethyl)-1-(3-chloro-2-fluorophenyl)butan-1-ol
CID 81262394
3-amino-1-pyridin-3-yl-2-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 65190750
3-amino-1-(2-bromo-4-fluorophenyl)-2-(3-chloro-2-fluorophenyl)propan-1-ol
CID 82792768
3-amino-1-(2-chlorophenyl)-2-(3,5-difluorophenyl)propan-1-ol
CID 65189186
1-(3-chloro-2-fluorophenyl)-2-pyridin-4-ylpropan-1-ol
CID 81262481
3-amino-1-(4-tert-butylphenyl)-2-pyridin-3-ylpropan-1-ol
CID 80522541

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol?
The IUPAC name of 3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol (CID 81262776) is 3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol.
What is the SMILES notation for 3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol?
The canonical SMILES for 3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol is NCC(c1cccnc1)C(O)c1cccc(Cl)c1F.
What is the InChIKey of 3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol?
The InChIKey is HKXFORDVRRLHQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c15-12-5-1-4-10(13(12)16)14(19)11(7-17)9-3-2-6-18-8-9/h1-6,8,11,14,19H,7,17H2.
What are the key properties of 3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol?
3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol has a molecular weight of 280.73 g/mol, XLogP of 2.65, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(3-chloro-2-fluorophenyl)-2-pyridin-3-ylpropan-1-ol is sourced from PubChem (CID 81262776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).