2,4-dichloro-N-(pyridin-3-ylmethyl)aniline

C12H10Cl2N2 — CID 2804511

IUPAC2,4-dichloro-N-(pyridin-3-ylmethyl)aniline
SMILESClc1ccc(NCc2cccnc2)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2
InChIKeyHNQDMSRGKGZQMN-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.00
Rot. Bonds3

About 2,4-dichloro-N-(pyridin-3-ylmethyl)aniline

2,4-dichloro-N-(pyridin-3-ylmethyl)aniline (PubChem CID 2804511) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 2,4-dichloro-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,4-dichloro-N-(pyridin-3-ylmethyl)aniline
PubChem CID2804511
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name2,4-dichloro-N-(pyridin-3-ylmethyl)aniline
SMILESClc1ccc(NCc2cccnc2)c(Cl)c1
InChIInChI=1S/C12H10Cl2N2/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2
InChIKeyHNQDMSRGKGZQMN-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 2,4-dichloro-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 2,4-dichloro-N-(pyridin-3-ylmethyl)aniline (CID 2804511) is 2,4-dichloro-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2,4-dichloro-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2,4-dichloro-N-(pyridin-3-ylmethyl)aniline is Clc1ccc(NCc2cccnc2)c(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is HNQDMSRGKGZQMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-10-3-4-12(11(14)6-10)16-8-9-2-1-5-15-7-9/h1-7,16H,8H2.
What are the key properties of 2,4-dichloro-N-(pyridin-3-ylmethyl)aniline?
2,4-dichloro-N-(pyridin-3-ylmethyl)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 2,4-dichloro-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 2804511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).