N-[(2,6-dichlorophenyl)methyl]pyridin-4-amine

C12H10Cl2N2 — CID 73355260

IUPACN-[(2,6-dichlorophenyl)methyl]pyridin-4-amine
SMILESClc1cccc(Cl)c1CNc1ccncc1
InChIInChI=1S/C12H10Cl2N2/c13-11-2-1-3-12(14)10(11)8-16-9-4-6-15-7-5-9/h1-7H,8H2,(H,15,16)
InChIKeyUZNVJMPOZQEHDJ-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.00
Rot. Bonds3

About N-[(2,6-dichlorophenyl)methyl]pyridin-4-amine

N-[(2,6-dichlorophenyl)methyl]pyridin-4-amine (PubChem CID 73355260) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is N-[(2,6-dichlorophenyl)methyl]pyridin-4-amine.

Molecular Properties

Compound NameN-[(2,6-dichlorophenyl)methyl]pyridin-4-amine
PubChem CID73355260
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC NameN-[(2,6-dichlorophenyl)methyl]pyridin-4-amine
SMILESClc1cccc(Cl)c1CNc1ccncc1
InChIInChI=1S/C12H10Cl2N2/c13-11-2-1-3-12(14)10(11)8-16-9-4-6-15-7-5-9/h1-7H,8H2,(H,15,16)
InChIKeyUZNVJMPOZQEHDJ-UHFFFAOYSA-N
XLogP4.00
TPSA24.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dichlorophenyl)methyl]pyridin-4-amine?
The IUPAC name of N-[(2,6-dichlorophenyl)methyl]pyridin-4-amine (CID 73355260) is N-[(2,6-dichlorophenyl)methyl]pyridin-4-amine.
What is the SMILES notation for N-[(2,6-dichlorophenyl)methyl]pyridin-4-amine?
The canonical SMILES for N-[(2,6-dichlorophenyl)methyl]pyridin-4-amine is Clc1cccc(Cl)c1CNc1ccncc1.
What is the InChIKey of N-[(2,6-dichlorophenyl)methyl]pyridin-4-amine?
The InChIKey is UZNVJMPOZQEHDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-11-2-1-3-12(14)10(11)8-16-9-4-6-15-7-5-9/h1-7H,8H2,(H,15,16).
What are the key properties of N-[(2,6-dichlorophenyl)methyl]pyridin-4-amine?
N-[(2,6-dichlorophenyl)methyl]pyridin-4-amine has a molecular weight of 253.13 g/mol, XLogP of 4.00, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dichlorophenyl)methyl]pyridin-4-amine is sourced from PubChem (CID 73355260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).