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

C12H12ClN3 — CID 62538240

IUPAC2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine
SMILESNc1ccc(NCc2cccc(Cl)c2)nc1
InChIInChI=1S/C12H12ClN3/c13-10-3-1-2-9(6-10)7-15-12-5-4-11(14)8-16-12/h1-6,8H,7,14H2,(H,15,16)
InChIKeyCJUDXAHSUNRCLU-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.93
Rot. Bonds3

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

2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine (PubChem CID 62538240) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine.

Molecular Properties

Compound Name2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine
PubChem CID62538240
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine
SMILESNc1ccc(NCc2cccc(Cl)c2)nc1
InChIInChI=1S/C12H12ClN3/c13-10-3-1-2-9(6-10)7-15-12-5-4-11(14)8-16-12/h1-6,8H,7,14H2,(H,15,16)
InChIKeyCJUDXAHSUNRCLU-UHFFFAOYSA-N
XLogP2.93
TPSA50.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.70
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[3-[[(5-amino-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231693
5-(2-aminocyclopropyl)-N-[(3-chlorophenyl)methyl]pyridin-2-amine;hydrochloride
CID 66980585
2-N-[(3-chloro-4-fluorophenyl)methyl]pyridine-2,5-diamine
CID 62539567
5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile
CID 62537909
5-[(3-chlorophenyl)methylamino]pyrazine-2-carbonitrile
CID 63658175
5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine
CID 155130266
2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine
CID 62537408
[4-[5-[(3-chlorophenyl)methylamino]pyrazin-2-yl]phenyl]methanol
CID 71424011
6-[(3-aminophenyl)methylamino]pyridine-3-carbonitrile
CID 55084059
N-[(3-chlorophenyl)methyl]-5-morpholin-4-ylsulfonylpyridin-2-amine
CID 9281619
4-N-[(3-chlorophenyl)methyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771771
N-[[4-(2-aminoethyl)phenyl]methyl]-5-chloropyridin-2-amine
CID 62503194

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine?
The IUPAC name of 2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine (CID 62538240) is 2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine.
What is the SMILES notation for 2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine?
The canonical SMILES for 2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine is Nc1ccc(NCc2cccc(Cl)c2)nc1.
What is the InChIKey of 2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine?
The InChIKey is CJUDXAHSUNRCLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-10-3-1-2-9(6-10)7-15-12-5-4-11(14)8-16-12/h1-6,8H,7,14H2,(H,15,16).
What are the key properties of 2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine?
2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine has a molecular weight of 233.70 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine is sourced from PubChem (CID 62538240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).