6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine

C11H9ClN4O2 — CID 47453552

IUPAC6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine
SMILESO=[N+]([O-])c1cccc(CNc2cncc(Cl)n2)c1
InChIInChI=1S/C11H9ClN4O2/c12-10-6-13-7-11(15-10)14-5-8-2-1-3-9(4-8)16(17)18/h1-4,6-7H,5H2,(H,14,15)
InChIKeyZIGPWIBNWSVRHX-UHFFFAOYSA-N
MW264.67 g/mol
LogP2.65
Rot. Bonds4

About 6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine

6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine (PubChem CID 47453552) has the molecular formula C11H9ClN4O2 and a molecular weight of 264.67 g/mol. Its IUPAC name is 6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine
PubChem CID47453552
Molecular FormulaC11H9ClN4O2
Molecular Weight264.67 g/mol
Exact Mass264.04
IUPAC Name6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine
SMILESO=[N+]([O-])c1cccc(CNc2cncc(Cl)n2)c1
InChIInChI=1S/C11H9ClN4O2/c12-10-6-13-7-11(15-10)14-5-8-2-1-3-9(4-8)16(17)18/h1-4,6-7H,5H2,(H,14,15)
InChIKeyZIGPWIBNWSVRHX-UHFFFAOYSA-N
XLogP2.65
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.67
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(3-nitrophenyl)methylamino]pyrazine-2-carboxylic acid
CID 66451490
6-N-[(3-nitrophenyl)methyl]pyridine-2,6-diamine
CID 80648081
6-chloro-N-[(3-fluorophenyl)methyl]-4-nitropyridin-2-amine
CID 103888376
5-methyl-N-[(3-nitrophenyl)methyl]pyridin-3-amine
CID 75386276
N-benzyl-6-chloro-4-nitropyridin-2-amine;2,6-dichloro-4-nitropyridine
CID 161281792
3-nitro-6-N-[(3-nitrophenyl)methyl]pyridine-2,6-diamine
CID 79826302
6-chloro-N-[[3-(1-methylpyrazol-4-yl)phenyl]methyl]pyrazin-2-amine
CID 133411679
5-bromo-3-chloro-N-[(3-nitrophenyl)methyl]pyridin-2-amine
CID 103580153
6-bromo-N-[(3-nitrophenyl)methyl]-2-propan-2-ylpyrimidin-4-amine
CID 106194828
6-chloro-N-[(3-nitrophenyl)methyl]pyridine-3-carboxamide
CID 24903449
2,6-dimethyl-N-[(3-nitrophenyl)methyl]aniline
CID 60688842
2-chloro-6-nitro-N-[(3-nitrophenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 18460536

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine?
The IUPAC name of 6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine (CID 47453552) is 6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine.
What is the SMILES notation for 6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine?
The canonical SMILES for 6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine is O=[N+]([O-])c1cccc(CNc2cncc(Cl)n2)c1.
What is the InChIKey of 6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine?
The InChIKey is ZIGPWIBNWSVRHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O2/c12-10-6-13-7-11(15-10)14-5-8-2-1-3-9(4-8)16(17)18/h1-4,6-7H,5H2,(H,14,15).
What are the key properties of 6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine?
6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine has a molecular weight of 264.67 g/mol, XLogP of 2.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(3-nitrophenyl)methyl]pyrazin-2-amine is sourced from PubChem (CID 47453552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).