6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine

C10H10ClN5O2 — CID 114159167

IUPAC6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1cc([N+](=O)[O-])cc(Cl)n1)c1cn[nH]c1
InChIInChI=1S/C10H10ClN5O2/c1-6(7-4-12-13-5-7)14-10-3-8(16(17)18)2-9(11)15-10/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyHEZLRKMWVRDLTM-UHFFFAOYSA-N
MW267.68 g/mol
LogP2.54
Rot. Bonds4

About 6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine

6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine (PubChem CID 114159167) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is 6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
PubChem CID114159167
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC Name6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
SMILESCC(Nc1cc([N+](=O)[O-])cc(Cl)n1)c1cn[nH]c1
InChIInChI=1S/C10H10ClN5O2/c1-6(7-4-12-13-5-7)14-10-3-8(16(17)18)2-9(11)15-10/h2-6H,1H3,(H,12,13)(H,14,15)
InChIKeyHEZLRKMWVRDLTM-UHFFFAOYSA-N
XLogP2.54
TPSA96.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine
CID 113338970
6-chloro-2-methylsulfanyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 106214382
4-[(6-chloro-4-nitro-2-pyridinyl)amino]pentan-1-ol
CID 103888945
methyl 6-[1-(1H-pyrazol-4-yl)ethylamino]pyrazine-2-carboxylate
CID 114159121
6-chloro-4-nitro-N-(1-pyrrolidin-1-ylpropan-2-yl)pyridin-2-amine
CID 103888459
3-iodo-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]aniline
CID 106214049
6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 113345983
3-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 103856378
4-nitro-3-propan-2-yloxy-N-[1-(1H-pyrazol-4-yl)ethyl]aniline
CID 106544716
2-cyclopropyl-4-[1-(1H-pyrazol-4-yl)ethylamino]-1H-pyrimidin-6-one
CID 137011768
6-chloro-4-nitro-N-(1-thiophen-2-ylpropan-2-yl)pyridin-2-amine
CID 103888375
3,4-dichloro-5-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]benzamide
CID 106211219

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine?
The IUPAC name of 6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine (CID 114159167) is 6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine.
What is the SMILES notation for 6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine?
The canonical SMILES for 6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine is CC(Nc1cc([N+](=O)[O-])cc(Cl)n1)c1cn[nH]c1.
What is the InChIKey of 6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine?
The InChIKey is HEZLRKMWVRDLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c1-6(7-4-12-13-5-7)14-10-3-8(16(17)18)2-9(11)15-10/h2-6H,1H3,(H,12,13)(H,14,15).
What are the key properties of 6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine?
6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine has a molecular weight of 267.68 g/mol, XLogP of 2.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-nitro-N-[1-(1H-pyrazol-4-yl)ethyl]pyridin-2-amine is sourced from PubChem (CID 114159167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).