6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine

C10H12ClN5 — CID 115474252

IUPAC6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1NCCc1cnc[nH]1
InChIInChI=1S/C10H12ClN5/c11-9-2-1-8(12)10(16-9)14-4-3-7-5-13-6-15-7/h1-2,5-6H,3-4,12H2,(H,13,15)(H,14,16)
InChIKeyKJOOBQLUCXGPQT-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.69
Rot. Bonds4

About 6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine

6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine (PubChem CID 115474252) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine
PubChem CID115474252
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine
SMILESNc1ccc(Cl)nc1NCCc1cnc[nH]1
InChIInChI=1S/C10H12ClN5/c11-9-2-1-8(12)10(16-9)14-4-3-7-5-13-6-15-7/h1-2,5-6H,3-4,12H2,(H,13,15)(H,14,16)
InChIKeyKJOOBQLUCXGPQT-UHFFFAOYSA-N
XLogP1.69
TPSA79.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-chloro-2-N-(2-methylsulfanylethyl)pyridine-2,3-diamine
CID 115474192
3-[(3-amino-6-chloro-2-pyridinyl)amino]propan-1-ol
CID 115473663
6-chloro-2-N-[2-(dimethylamino)ethyl]pyridine-2,3-diamine
CID 24903980
1-N-[2-(1H-imidazol-5-yl)ethyl]-4-methylbenzene-1,2-diamine
CID 65231042
6-chloro-2-N-[2-(1-methylpyrazol-3-yl)ethyl]pyridine-2,3-diamine
CID 114143853
6-chloro-2-N-[2-(3-methylphenyl)ethyl]pyridine-2,3-diamine
CID 115474071
6-chloro-2-N-(4,4,4-trifluorobutyl)pyridine-2,3-diamine
CID 115515354
4-chloro-6-[2-(1H-imidazol-5-yl)ethylamino]pyrimidine-5-carbaldehyde
CID 106195043
6-chloro-N-[2-(1H-imidazol-5-yl)ethyl]-2-methylsulfanylpyrimidin-4-amine
CID 106195075
6-chloro-2-N-(2-pyrrolidin-1-ylethyl)pyridine-2,3-diamine
CID 24903988
1-[2-amino-5-[[5-chloro-2-fluoro-6-[2-(1H-imidazol-5-yl)ethylamino]-3-methyl-4-pyridinyl]oxy]phenyl]ethanol
CID 142829179
2-[2-(1H-imidazol-5-yl)ethylamino]-6-(trifluoromethyl)pyridine-3-carboxamide
CID 79875539

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine (CID 115474252) is 6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine is Nc1ccc(Cl)nc1NCCc1cnc[nH]1.
What is the InChIKey of 6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine?
The InChIKey is KJOOBQLUCXGPQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c11-9-2-1-8(12)10(16-9)14-4-3-7-5-13-6-15-7/h1-2,5-6H,3-4,12H2,(H,13,15)(H,14,16).
What are the key properties of 6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine?
6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine has a molecular weight of 237.69 g/mol, XLogP of 1.69, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[2-(1H-imidazol-5-yl)ethyl]pyridine-2,3-diamine is sourced from PubChem (CID 115474252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).