3,5-dichloro-N-(pyridin-4-ylmethyl)aniline

C12H10Cl2N2 — CID 964331

IUPAC3,5-dichloro-N-(pyridin-4-ylmethyl)aniline
SMILESClc1cc(Cl)cc(NCc2ccncc2)c1
InChIInChI=1S/C12H10Cl2N2/c13-10-5-11(14)7-12(6-10)16-8-9-1-3-15-4-2-9/h1-7,16H,8H2
InChIKeyKCPWMRIOTSYBHQ-UHFFFAOYSA-N
MW253.13 g/mol
LogP4.00
Rot. Bonds3

About 3,5-dichloro-N-(pyridin-4-ylmethyl)aniline

3,5-dichloro-N-(pyridin-4-ylmethyl)aniline (PubChem CID 964331) has the molecular formula C12H10Cl2N2 and a molecular weight of 253.13 g/mol. Its IUPAC name is 3,5-dichloro-N-(pyridin-4-ylmethyl)aniline.

Molecular Properties

Compound Name3,5-dichloro-N-(pyridin-4-ylmethyl)aniline
PubChem CID964331
Molecular FormulaC12H10Cl2N2
Molecular Weight253.13 g/mol
Exact Mass252.02
IUPAC Name3,5-dichloro-N-(pyridin-4-ylmethyl)aniline
SMILESClc1cc(Cl)cc(NCc2ccncc2)c1
InChIInChI=1S/C12H10Cl2N2/c13-10-5-11(14)7-12(6-10)16-8-9-1-3-15-4-2-9/h1-7,16H,8H2
InChIKeyKCPWMRIOTSYBHQ-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

Analyze 3,5-dichloro-N-(pyridin-4-ylmethyl)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dichlorophenyl)-6-(pyridin-4-ylmethylamino)pyridazine-3-carboxamide
CID 109121355
3,5-dichloro-N-[(4-methoxyphenyl)methyl]aniline
CID 23994439
5-(pyridin-4-ylmethylamino)benzene-1,3-dicarboxylic acid
CID 101486213
3-bromo-5-methyl-N-(pyridin-4-ylmethyl)aniline
CID 104938204
3-chloro-4-(difluoromethoxy)-N-(pyridin-4-ylmethyl)aniline
CID 28622662
3,5-dichloro-N-[(4-nitrophenyl)methyl]aniline
CID 29271564
1-[4-[(3,5-dichloroanilino)methyl]phenyl]ethanone
CID 139706215
3-chloro-5-fluoro-N-[(4-fluorophenyl)methyl]aniline
CID 103773172
2-chloro-4-(pyridin-4-ylmethylamino)benzoic acid
CID 17058958
3-chloro-N-(2-pyridin-4-ylethyl)-5-(trifluoromethyl)aniline
CID 116699570
N-[[4-[4-[(pyridin-4-ylamino)methyl]phenyl]phenyl]methyl]pyridin-4-amine
CID 130329770
N-benzyl-5-chloropyridin-3-amine
CID 146273772

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-(pyridin-4-ylmethyl)aniline?
The IUPAC name of 3,5-dichloro-N-(pyridin-4-ylmethyl)aniline (CID 964331) is 3,5-dichloro-N-(pyridin-4-ylmethyl)aniline.
What is the SMILES notation for 3,5-dichloro-N-(pyridin-4-ylmethyl)aniline?
The canonical SMILES for 3,5-dichloro-N-(pyridin-4-ylmethyl)aniline is Clc1cc(Cl)cc(NCc2ccncc2)c1.
What is the InChIKey of 3,5-dichloro-N-(pyridin-4-ylmethyl)aniline?
The InChIKey is KCPWMRIOTSYBHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10Cl2N2/c13-10-5-11(14)7-12(6-10)16-8-9-1-3-15-4-2-9/h1-7,16H,8H2.
What are the key properties of 3,5-dichloro-N-(pyridin-4-ylmethyl)aniline?
3,5-dichloro-N-(pyridin-4-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 3,5-dichloro-N-(pyridin-4-ylmethyl)aniline is sourced from PubChem (CID 964331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).