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

C12H12ClN3 — CID 62537408

IUPAC2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine
SMILESNc1cccnc1NCc1cccc(Cl)c1
InChIInChI=1S/C12H12ClN3/c13-10-4-1-3-9(7-10)8-16-12-11(14)5-2-6-15-12/h1-7H,8,14H2,(H,15,16)
InChIKeySBGVXLZKCTYVOI-UHFFFAOYSA-N
MW233.70 g/mol
LogP2.93
Rot. Bonds3

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

2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine (PubChem CID 62537408) has the molecular formula C12H12ClN3 and a molecular weight of 233.70 g/mol. Its IUPAC name is 2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine
PubChem CID62537408
Molecular FormulaC12H12ClN3
Molecular Weight233.70 g/mol
Exact Mass233.07
IUPAC Name2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine
SMILESNc1cccnc1NCc1cccc(Cl)c1
InChIInChI=1S/C12H12ClN3/c13-10-4-1-3-9(7-10)8-16-12-11(14)5-2-6-15-12/h1-7H,8,14H2,(H,15,16)
InChIKeySBGVXLZKCTYVOI-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

N-[(3-chlorophenyl)methyl]-3-methylpyridin-2-amine
CID 60704963
2-N-[(3-methoxyphenyl)methyl]pyridine-2,3-diamine
CID 61029303
3-amino-2-[(3-chlorophenyl)methylamino]pyridine-4-carbonitrile
CID 82816673
5-N-[(3-chlorophenyl)methyl]pyridine-2,3,5-triamine
CID 155130266
N-[(3-chlorophenyl)methyl]-2-hydrazinylpyridine-3-sulfonamide
CID 62532935
5-amino-2-[(3-chlorophenyl)methylamino]pyridine-3-carbonitrile
CID 62537909
2-N-[(3-chlorophenyl)methyl]pyridine-2,5-diamine
CID 62538240
[3-[[(3-amino-5-chloro-2-pyridinyl)amino]methyl]phenyl]methanol
CID 107231800
3-[(3-chlorophenyl)methylamino]-1-ethylpyrazin-2-one
CID 55156230
2-N-[(2,5-difluorophenyl)methyl]pyridine-2,3-diamine
CID 63795498
N-[(3-chlorophenyl)methyl]-9H-pyrido[3,4-b]indol-1-amine
CID 56683447
5-bromo-N-[(3-chlorophenyl)methyl]pyrimidin-4-amine
CID 66341926

Frequently Asked Questions

What is the IUPAC name of 2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine?
The IUPAC name of 2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine (CID 62537408) is 2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine is Nc1cccnc1NCc1cccc(Cl)c1.
What is the InChIKey of 2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine?
The InChIKey is SBGVXLZKCTYVOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12ClN3/c13-10-4-1-3-9(7-10)8-16-12-11(14)5-2-6-15-12/h1-7H,8,14H2,(H,15,16).
What are the key properties of 2-N-[(3-chlorophenyl)methyl]pyridine-2,3-diamine?
2-N-[(3-chlorophenyl)methyl]pyridine-2,3-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-2,3-diamine is sourced from PubChem (CID 62537408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).