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

C18H12ClF4N3 — CID 130473537

IUPACN-[(3-chlorophenyl)methyl]-6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine
SMILESFc1cncc(-c2ccc(NCc3cccc(Cl)c3)c(C(F)(F)F)n2)c1
InChIInChI=1S/C18H12ClF4N3/c19-13-3-1-2-11(6-13)8-25-16-5-4-15(26-17(16)18(21,22)23)12-7-14(20)10-24-9-12/h1-7,9-10,25H,8H2
InChIKeyKIQAPANFIHHJOO-UHFFFAOYSA-N
MW381.76 g/mol
LogP5.57
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine (PubChem CID 130473537) has the molecular formula C18H12ClF4N3 and a molecular weight of 381.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine
PubChem CID130473537
Molecular FormulaC18H12ClF4N3
Molecular Weight381.76 g/mol
Exact Mass381.07
IUPAC NameN-[(3-chlorophenyl)methyl]-6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine
SMILESFc1cncc(-c2ccc(NCc3cccc(Cl)c3)c(C(F)(F)F)n2)c1
InChIInChI=1S/C18H12ClF4N3/c19-13-3-1-2-11(6-13)8-25-16-5-4-15(26-17(16)18(21,22)23)12-7-14(20)10-24-9-12/h1-7,9-10,25H,8H2
InChIKeyKIQAPANFIHHJOO-UHFFFAOYSA-N
XLogP5.57
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.76
LogP ≤ 55.57
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]-6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine (CID 130473537) is N-[(3-chlorophenyl)methyl]-6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine is Fc1cncc(-c2ccc(NCc3cccc(Cl)c3)c(C(F)(F)F)n2)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine?
The InChIKey is KIQAPANFIHHJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClF4N3/c19-13-3-1-2-11(6-13)8-25-16-5-4-15(26-17(16)18(21,22)23)12-7-14(20)10-24-9-12/h1-7,9-10,25H,8H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine?
N-[(3-chlorophenyl)methyl]-6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine has a molecular weight of 381.76 g/mol, XLogP of 5.57, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-6-(5-fluoro-3-pyridinyl)-2-(trifluoromethyl)pyridin-3-amine is sourced from PubChem (CID 130473537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).