N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-chloro-4-pyridinyl)pyridin-3-amine

C17H12Cl2FN3 — CID 11660278

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-5-(3-chloro-4-pyridinyl)pyridin-3-amine
SMILESFc1cc(CNc2cncc(-c3ccncc3Cl)c2)ccc1Cl
InChIInChI=1S/C17H12Cl2FN3/c18-15-2-1-11(5-17(15)20)7-23-13-6-12(8-22-9-13)14-3-4-21-10-16(14)19/h1-6,8-10,23H,7H2
InChIKeyUYEDPJPWLBUCNZ-UHFFFAOYSA-N
MW348.21 g/mol
LogP5.20
Rot. Bonds4

About N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-chloro-4-pyridinyl)pyridin-3-amine

N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-chloro-4-pyridinyl)pyridin-3-amine (PubChem CID 11660278) has the molecular formula C17H12Cl2FN3 and a molecular weight of 348.21 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-chloro-4-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-5-(3-chloro-4-pyridinyl)pyridin-3-amine
PubChem CID11660278
Molecular FormulaC17H12Cl2FN3
Molecular Weight348.21 g/mol
Exact Mass347.04
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-5-(3-chloro-4-pyridinyl)pyridin-3-amine
SMILESFc1cc(CNc2cncc(-c3ccncc3Cl)c2)ccc1Cl
InChIInChI=1S/C17H12Cl2FN3/c18-15-2-1-11(5-17(15)20)7-23-13-6-12(8-22-9-13)14-3-4-21-10-16(14)19/h1-6,8-10,23H,7H2
InChIKeyUYEDPJPWLBUCNZ-UHFFFAOYSA-N
XLogP5.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.21
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-chloro-4-pyridinyl)pyridin-3-amine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-chloro-4-pyridinyl)pyridin-3-amine (CID 11660278) is N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-chloro-4-pyridinyl)pyridin-3-amine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-chloro-4-pyridinyl)pyridin-3-amine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-chloro-4-pyridinyl)pyridin-3-amine is Fc1cc(CNc2cncc(-c3ccncc3Cl)c2)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-chloro-4-pyridinyl)pyridin-3-amine?
The InChIKey is UYEDPJPWLBUCNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3/c18-15-2-1-11(5-17(15)20)7-23-13-6-12(8-22-9-13)14-3-4-21-10-16(14)19/h1-6,8-10,23H,7H2.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-chloro-4-pyridinyl)pyridin-3-amine?
N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-chloro-4-pyridinyl)pyridin-3-amine has a molecular weight of 348.21 g/mol, XLogP of 5.20, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-3-fluorophenyl)methyl]-5-(3-chloro-4-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 11660278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).