N-[(4-chloro-3-fluorophenyl)methyl]-5-(2-chloro-4-pyridinyl)pyridin-3-amine

C17H12Cl2FN3 — CID 11559316

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-5-(2-chloro-4-pyridinyl)pyridin-3-amine
SMILESFc1cc(CNc2cncc(-c3ccnc(Cl)c3)c2)ccc1Cl
InChIInChI=1S/C17H12Cl2FN3/c18-15-2-1-11(5-16(15)20)8-23-14-6-13(9-21-10-14)12-3-4-22-17(19)7-12/h1-7,9-10,23H,8H2
InChIKeyVYYVWKHKMVUYOC-UHFFFAOYSA-N
MW348.21 g/mol
LogP5.20
Rot. Bonds4

About N-[(4-chloro-3-fluorophenyl)methyl]-5-(2-chloro-4-pyridinyl)pyridin-3-amine

N-[(4-chloro-3-fluorophenyl)methyl]-5-(2-chloro-4-pyridinyl)pyridin-3-amine (PubChem CID 11559316) 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-(2-chloro-4-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-5-(2-chloro-4-pyridinyl)pyridin-3-amine
PubChem CID11559316
Molecular FormulaC17H12Cl2FN3
Molecular Weight348.21 g/mol
Exact Mass347.04
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-5-(2-chloro-4-pyridinyl)pyridin-3-amine
SMILESFc1cc(CNc2cncc(-c3ccnc(Cl)c3)c2)ccc1Cl
InChIInChI=1S/C17H12Cl2FN3/c18-15-2-1-11(5-16(15)20)8-23-14-6-13(9-21-10-14)12-3-4-22-17(19)7-12/h1-7,9-10,23H,8H2
InChIKeyVYYVWKHKMVUYOC-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[(4-chloro-3-fluorophenyl)methyl]-5-(2-chloro-4-pyridinyl)pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-5-(2-chloro-4-pyridinyl)pyridin-3-amine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-5-(2-chloro-4-pyridinyl)pyridin-3-amine (CID 11559316) is N-[(4-chloro-3-fluorophenyl)methyl]-5-(2-chloro-4-pyridinyl)pyridin-3-amine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-5-(2-chloro-4-pyridinyl)pyridin-3-amine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-5-(2-chloro-4-pyridinyl)pyridin-3-amine is Fc1cc(CNc2cncc(-c3ccnc(Cl)c3)c2)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-5-(2-chloro-4-pyridinyl)pyridin-3-amine?
The InChIKey is VYYVWKHKMVUYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2FN3/c18-15-2-1-11(5-16(15)20)8-23-14-6-13(9-21-10-14)12-3-4-22-17(19)7-12/h1-7,9-10,23H,8H2.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-5-(2-chloro-4-pyridinyl)pyridin-3-amine?
N-[(4-chloro-3-fluorophenyl)methyl]-5-(2-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-(2-chloro-4-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 11559316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).