N-[(3-chlorophenyl)methyl]-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine

C19H15ClF3N3 — CID 130473545

IUPACN-[(3-chlorophenyl)methyl]-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine
SMILESCC(F)(F)c1nc(-c2cncc(F)c2)ccc1NCc1cccc(Cl)c1
InChIInChI=1S/C19H15ClF3N3/c1-19(22,23)18-17(25-9-12-3-2-4-14(20)7-12)6-5-16(26-18)13-8-15(21)11-24-10-13/h2-8,10-11,25H,9H2,1H3
InChIKeyAIYNRGXUGREWPR-UHFFFAOYSA-N
MW377.80 g/mol
LogP5.66
Rot. Bonds5

About N-[(3-chlorophenyl)methyl]-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine

N-[(3-chlorophenyl)methyl]-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine (PubChem CID 130473545) has the molecular formula C19H15ClF3N3 and a molecular weight of 377.80 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine
PubChem CID130473545
Molecular FormulaC19H15ClF3N3
Molecular Weight377.80 g/mol
Exact Mass377.09
IUPAC NameN-[(3-chlorophenyl)methyl]-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine
SMILESCC(F)(F)c1nc(-c2cncc(F)c2)ccc1NCc1cccc(Cl)c1
InChIInChI=1S/C19H15ClF3N3/c1-19(22,23)18-17(25-9-12-3-2-4-14(20)7-12)6-5-16(26-18)13-8-15(21)11-24-10-13/h2-8,10-11,25H,9H2,1H3
InChIKeyAIYNRGXUGREWPR-UHFFFAOYSA-N
XLogP5.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.80
LogP ≤ 55.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine (CID 130473545) is N-[(3-chlorophenyl)methyl]-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine is CC(F)(F)c1nc(-c2cncc(F)c2)ccc1NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine?
The InChIKey is AIYNRGXUGREWPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClF3N3/c1-19(22,23)18-17(25-9-12-3-2-4-14(20)7-12)6-5-16(26-18)13-8-15(21)11-24-10-13/h2-8,10-11,25H,9H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine?
N-[(3-chlorophenyl)methyl]-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine has a molecular weight of 377.80 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-(1,1-difluoroethyl)-6-(5-fluoro-3-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 130473545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).