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

C17H11Cl3FN3 — CID 11632366

IUPACN-[(4-chloro-3-fluorophenyl)methyl]-5-(2,3-dichloro-4-pyridinyl)pyridin-3-amine
SMILESFc1cc(CNc2cncc(-c3ccnc(Cl)c3Cl)c2)ccc1Cl
InChIInChI=1S/C17H11Cl3FN3/c18-14-2-1-10(5-15(14)21)7-24-12-6-11(8-22-9-12)13-3-4-23-17(20)16(13)19/h1-6,8-9,24H,7H2
InChIKeyVQKGHOUXCHPKNY-UHFFFAOYSA-N
MW382.65 g/mol
LogP5.86
Rot. Bonds4

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

N-[(4-chloro-3-fluorophenyl)methyl]-5-(2,3-dichloro-4-pyridinyl)pyridin-3-amine (PubChem CID 11632366) has the molecular formula C17H11Cl3FN3 and a molecular weight of 382.65 g/mol. Its IUPAC name is N-[(4-chloro-3-fluorophenyl)methyl]-5-(2,3-dichloro-4-pyridinyl)pyridin-3-amine.

Molecular Properties

Compound NameN-[(4-chloro-3-fluorophenyl)methyl]-5-(2,3-dichloro-4-pyridinyl)pyridin-3-amine
PubChem CID11632366
Molecular FormulaC17H11Cl3FN3
Molecular Weight382.65 g/mol
Exact Mass381.00
IUPAC NameN-[(4-chloro-3-fluorophenyl)methyl]-5-(2,3-dichloro-4-pyridinyl)pyridin-3-amine
SMILESFc1cc(CNc2cncc(-c3ccnc(Cl)c3Cl)c2)ccc1Cl
InChIInChI=1S/C17H11Cl3FN3/c18-14-2-1-10(5-15(14)21)7-24-12-6-11(8-22-9-12)13-3-4-23-17(20)16(13)19/h1-6,8-9,24H,7H2
InChIKeyVQKGHOUXCHPKNY-UHFFFAOYSA-N
XLogP5.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.65
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-5-(2,3-dichloro-4-pyridinyl)pyridin-3-amine?
The IUPAC name of N-[(4-chloro-3-fluorophenyl)methyl]-5-(2,3-dichloro-4-pyridinyl)pyridin-3-amine (CID 11632366) is N-[(4-chloro-3-fluorophenyl)methyl]-5-(2,3-dichloro-4-pyridinyl)pyridin-3-amine.
What is the SMILES notation for N-[(4-chloro-3-fluorophenyl)methyl]-5-(2,3-dichloro-4-pyridinyl)pyridin-3-amine?
The canonical SMILES for N-[(4-chloro-3-fluorophenyl)methyl]-5-(2,3-dichloro-4-pyridinyl)pyridin-3-amine is Fc1cc(CNc2cncc(-c3ccnc(Cl)c3Cl)c2)ccc1Cl.
What is the InChIKey of N-[(4-chloro-3-fluorophenyl)methyl]-5-(2,3-dichloro-4-pyridinyl)pyridin-3-amine?
The InChIKey is VQKGHOUXCHPKNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11Cl3FN3/c18-14-2-1-10(5-15(14)21)7-24-12-6-11(8-22-9-12)13-3-4-23-17(20)16(13)19/h1-6,8-9,24H,7H2.
What are the key properties of N-[(4-chloro-3-fluorophenyl)methyl]-5-(2,3-dichloro-4-pyridinyl)pyridin-3-amine?
N-[(4-chloro-3-fluorophenyl)methyl]-5-(2,3-dichloro-4-pyridinyl)pyridin-3-amine has a molecular weight of 382.65 g/mol, XLogP of 5.86, 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-(2,3-dichloro-4-pyridinyl)pyridin-3-amine is sourced from PubChem (CID 11632366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).