1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoropropan-1-one

C14H13ClF2N2O — CID 18187290

IUPAC1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)C1=CC=CN(c2ccc(Cl)cc2)C1N
InChIInChI=1S/C14H13ClF2N2O/c1-14(16,17)12(20)11-3-2-8-19(13(11)18)10-6-4-9(15)5-7-10/h2-8,13H,18H2,1H3
InChIKeyONRZLKSMALZHGQ-UHFFFAOYSA-N
MW298.72 g/mol
LogP3.11
Rot. Bonds3

About 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoropropan-1-one

1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoropropan-1-one (PubChem CID 18187290) has the molecular formula C14H13ClF2N2O and a molecular weight of 298.72 g/mol. Its IUPAC name is 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoropropan-1-one.

Molecular Properties

Compound Name1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoropropan-1-one
PubChem CID18187290
Molecular FormulaC14H13ClF2N2O
Molecular Weight298.72 g/mol
Exact Mass298.07
IUPAC Name1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoropropan-1-one
SMILESCC(F)(F)C(=O)C1=CC=CN(c2ccc(Cl)cc2)C1N
InChIInChI=1S/C14H13ClF2N2O/c1-14(16,17)12(20)11-3-2-8-19(13(11)18)10-6-4-9(15)5-7-10/h2-8,13H,18H2,1H3
InChIKeyONRZLKSMALZHGQ-UHFFFAOYSA-N
XLogP3.11
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.72
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoropropan-1-one?
The IUPAC name of 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoropropan-1-one (CID 18187290) is 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoropropan-1-one.
What is the SMILES notation for 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoropropan-1-one?
The canonical SMILES for 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoropropan-1-one is CC(F)(F)C(=O)C1=CC=CN(c2ccc(Cl)cc2)C1N.
What is the InChIKey of 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoropropan-1-one?
The InChIKey is ONRZLKSMALZHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClF2N2O/c1-14(16,17)12(20)11-3-2-8-19(13(11)18)10-6-4-9(15)5-7-10/h2-8,13H,18H2,1H3.
What are the key properties of 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoropropan-1-one?
1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoropropan-1-one has a molecular weight of 298.72 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-1-(4-chlorophenyl)-2H-pyridin-3-yl]-2,2-difluoropropan-1-one is sourced from PubChem (CID 18187290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).