N-[(3,5-dichloro-4-pyridinyl)methyl]aniline

C12H10Cl2N2 — CID 141060907

IUPACN-[(3,5-dichloro-4-pyridinyl)methyl]aniline
SMILESClc1cncc(Cl)c1CNc1ccccc1
InChIInChI=1S/C12H10Cl2N2/c13-11-7-15-8-12(14)10(11)6-16-9-4-2-1-3-5-9/h1-5,7-8,16H,6H2
InChIKeyODQSFIZGOLOQDX-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.00
Rot. Bonds3

About N-[(3,5-dichloro-4-pyridinyl)methyl]aniline

N-[(3,5-dichloro-4-pyridinyl)methyl]aniline (PubChem CID 141060907) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is N-[(3,5-dichloro-4-pyridinyl)methyl]aniline.

Molecular Properties

Compound NameN-[(3,5-dichloro-4-pyridinyl)methyl]aniline
PubChem CID141060907
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC NameN-[(3,5-dichloro-4-pyridinyl)methyl]aniline
SMILESClc1cncc(Cl)c1CNc1ccccc1
InChIInChI=1S/C12H10Cl2N2/c13-11-7-15-8-12(14)10(11)6-16-9-4-2-1-3-5-9/h1-5,7-8,16H,6H2
InChIKeyODQSFIZGOLOQDX-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-[(3,5-dichloro-4-pyridinyl)methyl]aniline?
The IUPAC name of N-[(3,5-dichloro-4-pyridinyl)methyl]aniline (CID 141060907) is N-[(3,5-dichloro-4-pyridinyl)methyl]aniline.
What is the SMILES notation for N-[(3,5-dichloro-4-pyridinyl)methyl]aniline?
The canonical SMILES for N-[(3,5-dichloro-4-pyridinyl)methyl]aniline is Clc1cncc(Cl)c1CNc1ccccc1.
What is the InChIKey of N-[(3,5-dichloro-4-pyridinyl)methyl]aniline?
The InChIKey is ODQSFIZGOLOQDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-11-7-15-8-12(14)10(11)6-16-9-4-2-1-3-5-9/h1-5,7-8,16H,6H2.
What are the key properties of N-[(3,5-dichloro-4-pyridinyl)methyl]aniline?
N-[(3,5-dichloro-4-pyridinyl)methyl]aniline 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-[(3,5-dichloro-4-pyridinyl)methyl]aniline is sourced from PubChem (CID 141060907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).