6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine

C10H10ClN5O2 — CID 103911595

IUPAC6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine
SMILESCn1nccc1CNc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C10H10ClN5O2/c1-15-7(2-3-13-15)6-12-10-5-8(16(17)18)4-9(11)14-10/h2-5H,6H2,1H3,(H,12,14)
InChIKeyKWNATCZZKIUFJJ-UHFFFAOYSA-N
MW267.68 g/mol
LogP1.99
Rot. Bonds4

About 6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine

6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine (PubChem CID 103911595) has the molecular formula C10H10ClN5O2 and a molecular weight of 267.68 g/mol. Its IUPAC name is 6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine.

Molecular Properties

Compound Name6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine
PubChem CID103911595
Molecular FormulaC10H10ClN5O2
Molecular Weight267.68 g/mol
Exact Mass267.05
IUPAC Name6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine
SMILESCn1nccc1CNc1cc([N+](=O)[O-])cc(Cl)n1
InChIInChI=1S/C10H10ClN5O2/c1-15-7(2-3-13-15)6-12-10-5-8(16(17)18)4-9(11)14-10/h2-5H,6H2,1H3,(H,12,14)
InChIKeyKWNATCZZKIUFJJ-UHFFFAOYSA-N
XLogP1.99
TPSA85.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-benzyl-6-chloro-4-nitropyridin-2-amine;2,6-dichloro-4-nitropyridine
CID 161281792
6-chloro-N-[(2-methylphenyl)methyl]-4-nitropyridin-2-amine
CID 103886427
6-chloro-N-[(2-methylpyrazol-3-yl)methyl]pyrazin-2-amine
CID 63303385
2-iodo-N-[(2-methylpyrazol-3-yl)methyl]-4-nitroaniline
CID 66094521
4-methyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyridin-2-amine
CID 79176407
3-ethoxy-N-[(2-methylpyrazol-3-yl)methyl]-5-nitroaniline
CID 80724428
6-chloro-N-[(3-fluorophenyl)methyl]-4-nitropyridin-2-amine
CID 103888376
2-[(6-chloro-4-nitro-2-pyridinyl)amino]ethanol
CID 103888263
4-chloro-5-fluoro-N-[(2-methylpyrazol-3-yl)methyl]-2-nitroaniline
CID 66078961
2-chloro-N-[(2-methylpyrazol-3-yl)methyl]-5-nitrobenzamide
CID 63302246
6-chloro-N-(2-morpholin-4-ylethyl)-4-nitropyridin-2-amine
CID 113345971
6-chloro-4-nitro-N-(1-pyrazol-1-ylpropan-2-yl)pyridin-2-amine
CID 113345983

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine?
The IUPAC name of 6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine (CID 103911595) is 6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine.
What is the SMILES notation for 6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine?
The canonical SMILES for 6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine is Cn1nccc1CNc1cc([N+](=O)[O-])cc(Cl)n1.
What is the InChIKey of 6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine?
The InChIKey is KWNATCZZKIUFJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O2/c1-15-7(2-3-13-15)6-12-10-5-8(16(17)18)4-9(11)14-10/h2-5H,6H2,1H3,(H,12,14).
What are the key properties of 6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine?
6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine has a molecular weight of 267.68 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2-methylpyrazol-3-yl)methyl]-4-nitropyridin-2-amine is sourced from PubChem (CID 103911595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).