1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol

C14H14ClFN2O — CID 82802957

IUPAC1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
SMILESNc1ncccc1CC(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H14ClFN2O/c15-12-5-1-3-9(13(12)16)7-11(19)8-10-4-2-6-18-14(10)17/h1-6,11,19H,7-8H2,(H2,17,18)
InChIKeyITEVUXVKHPKILF-UHFFFAOYSA-N
MW280.73 g/mol
LogP2.60
Rot. Bonds4

About 1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol

1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol (PubChem CID 82802957) has the molecular formula C14H14ClFN2O and a molecular weight of 280.73 g/mol. Its IUPAC name is 1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
PubChem CID82802957
Molecular FormulaC14H14ClFN2O
Molecular Weight280.73 g/mol
Exact Mass280.08
IUPAC Name1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol
SMILESNc1ncccc1CC(O)Cc1cccc(Cl)c1F
InChIInChI=1S/C14H14ClFN2O/c15-12-5-1-3-9(13(12)16)7-11(19)8-10-4-2-6-18-14(10)17/h1-6,11,19H,7-8H2,(H2,17,18)
InChIKeyITEVUXVKHPKILF-UHFFFAOYSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-chloro-2-fluorophenyl)-3-(2,3-difluorophenyl)propan-2-ol
CID 82806467
3-[2-amino-2-(3-chloro-2-pyridinyl)ethyl]pyridin-2-amine
CID 103443859
1-(3-chloro-2-fluorophenyl)-3-(2-methylphenyl)propan-2-ol
CID 82803418
2-(3-chloro-2-fluorophenyl)-1-quinolin-5-ylethanamine
CID 82787833
1-(3-chloro-2-fluorophenyl)-4-methylpentan-2-ol
CID 82802177
1-(3-chloro-2-fluorophenyl)-3-(4-methylphenyl)propan-2-ol
CID 82803292
1-(3-chloro-2-fluorophenyl)-3-(3-chloro-4-fluorophenyl)propan-2-ol
CID 103039694
1-(2-amino-3-pyridinyl)-3-(4-chlorophenyl)sulfanylpropan-2-ol
CID 66143183
1-(2-amino-3-pyridinyl)-3-(4-fluorophenyl)sulfanylpropan-2-ol
CID 66070761
1-(3-chloro-2-fluorophenyl)-3-(3,5-dimethylphenyl)propan-2-ol
CID 82802408
1-(3-chloro-2-fluorophenyl)-3-(3,4-difluorophenyl)propan-2-ol
CID 82920732
1-(3-chloro-2-fluorophenyl)-3-(4-chlorophenoxy)propan-2-ol
CID 102867534

Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol?
The IUPAC name of 1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol (CID 82802957) is 1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol?
The canonical SMILES for 1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol is Nc1ncccc1CC(O)Cc1cccc(Cl)c1F.
What is the InChIKey of 1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol?
The InChIKey is ITEVUXVKHPKILF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClFN2O/c15-12-5-1-3-9(13(12)16)7-11(19)8-10-4-2-6-18-14(10)17/h1-6,11,19H,7-8H2,(H2,17,18).
What are the key properties of 1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol?
1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol has a molecular weight of 280.73 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-3-pyridinyl)-3-(3-chloro-2-fluorophenyl)propan-2-ol is sourced from PubChem (CID 82802957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).