(2,6-dichlorophenyl)-pyridin-3-ylmethanamine

C12H10Cl2N2 — CID 115799088

IUPAC(2,6-dichlorophenyl)-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2N2/c13-9-4-1-5-10(14)11(9)12(15)8-3-2-6-16-7-8/h1-7,12H,15H2
InChIKeyXIWROJIXWDLVFV-UHFFFAOYSA-N
MW253.13 g/mol
LogP3.44
Rot. Bonds2

About (2,6-dichlorophenyl)-pyridin-3-ylmethanamine

(2,6-dichlorophenyl)-pyridin-3-ylmethanamine (PubChem CID 115799088) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is (2,6-dichlorophenyl)-pyridin-3-ylmethanamine.

Molecular Properties

Compound Name(2,6-dichlorophenyl)-pyridin-3-ylmethanamine
PubChem CID115799088
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name(2,6-dichlorophenyl)-pyridin-3-ylmethanamine
SMILESNC(c1cccnc1)c1c(Cl)cccc1Cl
InChIInChI=1S/C12H10Cl2N2/c13-9-4-1-5-10(14)11(9)12(15)8-3-2-6-16-7-8/h1-7,12H,15H2
InChIKeyXIWROJIXWDLVFV-UHFFFAOYSA-N
XLogP3.44
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.13
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

phenyl(pyridin-3-yl)methanamine;hydrochloride
CID 23724449
ethane;pyridin-3-yl(pyrimidin-5-yl)methanamine
CID 145185117
(R)-(4-bromophenyl)-pyridin-3-ylmethanamine
CID 42137795
amino(pyridin-3-yl)methanethiol
CID 116939546
(2-chloro-3-fluorophenyl)-pyridin-3-ylmethanamine
CID 115799417
(1S,2S)-1,2-dipyridin-3-ylethane-1,2-diamine
CID 30682697
2-(2,3-dichlorophenyl)-1-pyridin-3-ylethanamine
CID 21148415
(R)-pyridin-3-yl-[3-(trifluoromethyl)phenyl]methanamine
CID 28502674
(5-chloro-2-fluorophenyl)-pyridin-3-ylmethanamine
CID 114885982
[4-(2,3-dichlorophenyl)-1,2,4-triazol-3-yl]-pyridin-3-ylmethanamine
CID 68707615
(5-chloro-4-methyl-1,4-dihydroquinazolin-2-yl)-pyridin-3-ylmethanamine
CID 68692139
[2-(2,6-dichlorophenyl)-1-pyridin-3-ylethyl]hydrazine
CID 105196072

Frequently Asked Questions

What is the IUPAC name of (2,6-dichlorophenyl)-pyridin-3-ylmethanamine?
The IUPAC name of (2,6-dichlorophenyl)-pyridin-3-ylmethanamine (CID 115799088) is (2,6-dichlorophenyl)-pyridin-3-ylmethanamine.
What is the SMILES notation for (2,6-dichlorophenyl)-pyridin-3-ylmethanamine?
The canonical SMILES for (2,6-dichlorophenyl)-pyridin-3-ylmethanamine is NC(c1cccnc1)c1c(Cl)cccc1Cl.
What is the InChIKey of (2,6-dichlorophenyl)-pyridin-3-ylmethanamine?
The InChIKey is XIWROJIXWDLVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-9-4-1-5-10(14)11(9)12(15)8-3-2-6-16-7-8/h1-7,12H,15H2.
What are the key properties of (2,6-dichlorophenyl)-pyridin-3-ylmethanamine?
(2,6-dichlorophenyl)-pyridin-3-ylmethanamine has a molecular weight of 253.13 g/mol, XLogP of 3.44, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dichlorophenyl)-pyridin-3-ylmethanamine is sourced from PubChem (CID 115799088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).