2,6-dichloro-N-(pyridin-3-ylmethyl)aniline

C12H10Cl2N2 — CID 913968

IUPAC2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
SMILESClc1cccc(Cl)c1NCc1cccnc1
InChIInChI=1S/C12H10Cl2N2/c13-10-4-1-5-11(14)12(10)16-8-9-3-2-6-15-7-9/h1-7,16H,8H2
InChIKeyPXBXHBCFMXRSPW-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.00
Rot. Bonds3

About 2,6-dichloro-N-(pyridin-3-ylmethyl)aniline

2,6-dichloro-N-(pyridin-3-ylmethyl)aniline (PubChem CID 913968) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 2,6-dichloro-N-(pyridin-3-ylmethyl)aniline.

Molecular Properties

Compound Name2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
PubChem CID913968
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name2,6-dichloro-N-(pyridin-3-ylmethyl)aniline
SMILESClc1cccc(Cl)c1NCc1cccnc1
InChIInChI=1S/C12H10Cl2N2/c13-10-4-1-5-11(14)12(10)16-8-9-3-2-6-15-7-9/h1-7,16H,8H2
InChIKeyPXBXHBCFMXRSPW-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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Related Compounds

N-[(2,6-dichlorophenyl)methyl]-1-pyridin-3-ylmethanamine chloride
CID 21233303
5-chloro-N-(pyridin-3-ylmethyl)-2,1,3-benzothiadiazol-4-amine
CID 65475995
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
2,6-dichloro-4-(pyridin-3-ylmethylamino)phenol
CID 18778349
N-(2,6-dichlorophenyl)-2-(pyridin-3-ylmethylamino)pyridine-4-carboxamide
CID 109171978
N-(2,6-dichlorophenyl)-2-methyl-6-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109371069
5-chloro-N-(pyridin-3-ylmethyl)naphthalene-1-carboxamide
CID 2995794
4-chloro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 82676696
N-[(2-chlorophenyl)methyl]-1-pyridin-3-ylmethanamine;hydrochloride
CID 154879239
N-(pyridin-3-ylmethyl)acridin-9-amine;hydrochloride
CID 18558676
2-chloro-N-(pyridin-3-ylmethyl)thiophen-3-amine
CID 130653950
3-chloro-N-(pyridin-3-ylmethyl)-4-pyrrolidin-1-ylaniline
CID 19644356

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(pyridin-3-ylmethyl)aniline?
The IUPAC name of 2,6-dichloro-N-(pyridin-3-ylmethyl)aniline (CID 913968) is 2,6-dichloro-N-(pyridin-3-ylmethyl)aniline.
What is the SMILES notation for 2,6-dichloro-N-(pyridin-3-ylmethyl)aniline?
The canonical SMILES for 2,6-dichloro-N-(pyridin-3-ylmethyl)aniline is Clc1cccc(Cl)c1NCc1cccnc1.
What is the InChIKey of 2,6-dichloro-N-(pyridin-3-ylmethyl)aniline?
The InChIKey is PXBXHBCFMXRSPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-10-4-1-5-11(14)12(10)16-8-9-3-2-6-15-7-9/h1-7,16H,8H2.
What are the key properties of 2,6-dichloro-N-(pyridin-3-ylmethyl)aniline?
2,6-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 2,6-dichloro-N-(pyridin-3-ylmethyl)aniline is sourced from PubChem (CID 913968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).