6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine

C10H12ClN5 — CID 115474161

IUPAC6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine
SMILESCn1nccc1CNc1nc(Cl)ccc1N
InChIInChI=1S/C10H12ClN5/c1-16-7(4-5-14-16)6-13-10-8(12)2-3-9(11)15-10/h2-5H,6,12H2,1H3,(H,13,15)
InChIKeyZKBYNQXUXILWBU-UHFFFAOYSA-N
MW237.69 g/mol
LogP1.66
Rot. Bonds3

About 6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine

6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine (PubChem CID 115474161) has the molecular formula C10H12ClN5 and a molecular weight of 237.69 g/mol. Its IUPAC name is 6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine.

Molecular Properties

Compound Name6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine
PubChem CID115474161
Molecular FormulaC10H12ClN5
Molecular Weight237.69 g/mol
Exact Mass237.08
IUPAC Name6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine
SMILESCn1nccc1CNc1nc(Cl)ccc1N
InChIInChI=1S/C10H12ClN5/c1-16-7(4-5-14-16)6-13-10-8(12)2-3-9(11)15-10/h2-5H,6,12H2,1H3,(H,13,15)
InChIKeyZKBYNQXUXILWBU-UHFFFAOYSA-N
XLogP1.66
TPSA68.76 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.69
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]benzene-1,2-diamine
CID 115468972
3-chloro-N-[(2-methylpyrazol-3-yl)methyl]isoquinolin-1-amine
CID 154877995
6-chloro-N-[(2-methylpyrazol-3-yl)methyl]pyrazin-2-amine
CID 63303385
3,5-dichloro-6-N-[(2-methylpyrazol-3-yl)methyl]-2-N-propylpyridine-2,6-diamine
CID 102758253
2-N-[(2-methylpyrazol-3-yl)methyl]-3-nitropyridine-2,6-diamine
CID 80829463
2-N-[(4-bromothiophen-2-yl)methyl]-6-chloropyridine-2,3-diamine
CID 115474210
6-chloro-2-N-[(4-propan-2-ylphenyl)methyl]pyridine-2,3-diamine
CID 115474027
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]quinazolin-4-amine
CID 80913958
6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine
CID 103911595
1,4-dimethyl-N-[(2-methylpyrazol-3-yl)methyl]pyrazol-3-amine
CID 122166497
6-N-methyl-4-N-[(2-methylpyrazol-3-yl)methyl]pyrimidine-2,4,6-triamine
CID 80830403
N-[(2-methylpyrazol-3-yl)methyl]pyridin-4-amine
CID 63302069

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine?
The IUPAC name of 6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine (CID 115474161) is 6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine.
What is the SMILES notation for 6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine?
The canonical SMILES for 6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine is Cn1nccc1CNc1nc(Cl)ccc1N.
What is the InChIKey of 6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine?
The InChIKey is ZKBYNQXUXILWBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN5/c1-16-7(4-5-14-16)6-13-10-8(12)2-3-9(11)15-10/h2-5H,6,12H2,1H3,(H,13,15).
What are the key properties of 6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine?
6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine has a molecular weight of 237.69 g/mol, XLogP of 1.66, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-N-[(2-methylpyrazol-3-yl)methyl]pyridine-2,3-diamine is sourced from PubChem (CID 115474161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).