4-N-[(2,5-dichlorophenyl)methyl]pyridine-3,4-diamine

C12H11Cl2N3 — CID 140784170

IUPAC4-N-[(2,5-dichlorophenyl)methyl]pyridine-3,4-diamine
SMILESNc1cnccc1NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2N3/c13-9-1-2-10(14)8(5-9)6-17-12-3-4-16-7-11(12)15/h1-5,7H,6,15H2,(H,16,17)
InChIKeyOVBMNWPWDHWHQL-UHFFFAOYSA-N
MW268.15 g/mol
LogP3.58
Rot. Bonds3

About 4-N-[(2,5-dichlorophenyl)methyl]pyridine-3,4-diamine

4-N-[(2,5-dichlorophenyl)methyl]pyridine-3,4-diamine (PubChem CID 140784170) has the molecular formula C12H11Cl2N3 and a molecular weight of 268.15 g/mol. Its IUPAC name is 4-N-[(2,5-dichlorophenyl)methyl]pyridine-3,4-diamine.

Molecular Properties

Compound Name4-N-[(2,5-dichlorophenyl)methyl]pyridine-3,4-diamine
PubChem CID140784170
Molecular FormulaC12H11Cl2N3
Molecular Weight268.15 g/mol
Exact Mass267.03
IUPAC Name4-N-[(2,5-dichlorophenyl)methyl]pyridine-3,4-diamine
SMILESNc1cnccc1NCc1cc(Cl)ccc1Cl
InChIInChI=1S/C12H11Cl2N3/c13-9-1-2-10(14)8(5-9)6-17-12-3-4-16-7-11(12)15/h1-5,7H,6,15H2,(H,16,17)
InChIKeyOVBMNWPWDHWHQL-UHFFFAOYSA-N
XLogP3.58
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.15
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-1-N-[(3,4-dichlorophenyl)methyl]benzene-1,2-diamine
CID 14953004
N-[(2-bromo-5-chlorophenyl)methyl]-4-methylpyridin-3-amine
CID 66161162
N-[(2,5-dichlorophenyl)methyl]-5-methylpyridin-3-amine
CID 103845205
5-bromo-N-[(2,5-dichlorophenyl)methyl]-2-fluoroaniline
CID 65316210
4-N-(1H-imidazol-2-ylmethyl)pyridine-3,4-diamine
CID 64548272
2-chloro-N-[(2,5-dichlorophenyl)methyl]-5-methoxyaniline
CID 65315824
3-N-[(2-bromo-5-chlorophenyl)methyl]-4-N,4-N-dimethylpyridine-3,4-diamine
CID 66159679
N-(3-amino-4-pyridinyl)-2-chloro-5-hydroxybenzamide
CID 106500113
N-[(2,5-dichlorophenyl)methyl]-1-pyridin-4-ylethanamine
CID 65316008
3-chloro-N-[(3-chloro-4-fluorophenyl)methyl]pyridin-4-amine
CID 79839987
3-chloro-N-[(3-methyl-4-pyridinyl)methyl]pyridin-4-amine
CID 114700905
4-N-[(2-propan-2-yloxy-3-pyridinyl)methyl]pyridine-3,4-diamine
CID 61373121

Frequently Asked Questions

What is the IUPAC name of 4-N-[(2,5-dichlorophenyl)methyl]pyridine-3,4-diamine?
The IUPAC name of 4-N-[(2,5-dichlorophenyl)methyl]pyridine-3,4-diamine (CID 140784170) is 4-N-[(2,5-dichlorophenyl)methyl]pyridine-3,4-diamine.
What is the SMILES notation for 4-N-[(2,5-dichlorophenyl)methyl]pyridine-3,4-diamine?
The canonical SMILES for 4-N-[(2,5-dichlorophenyl)methyl]pyridine-3,4-diamine is Nc1cnccc1NCc1cc(Cl)ccc1Cl.
What is the InChIKey of 4-N-[(2,5-dichlorophenyl)methyl]pyridine-3,4-diamine?
The InChIKey is OVBMNWPWDHWHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3/c13-9-1-2-10(14)8(5-9)6-17-12-3-4-16-7-11(12)15/h1-5,7H,6,15H2,(H,16,17).
What are the key properties of 4-N-[(2,5-dichlorophenyl)methyl]pyridine-3,4-diamine?
4-N-[(2,5-dichlorophenyl)methyl]pyridine-3,4-diamine has a molecular weight of 268.15 g/mol, XLogP of 3.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(2,5-dichlorophenyl)methyl]pyridine-3,4-diamine is sourced from PubChem (CID 140784170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).