2-(2-chloropentan-3-yl)-5-methyl-3-nitropyridine

C11H15ClN2O2 — CID 66277888

IUPAC2-(2-chloropentan-3-yl)-5-methyl-3-nitropyridine
SMILESCCC(c1ncc(C)cc1[N+](=O)[O-])C(C)Cl
InChIInChI=1S/C11H15ClN2O2/c1-4-9(8(3)12)11-10(14(15)16)5-7(2)6-13-11/h5-6,8-9H,4H2,1-3H3
InChIKeyKUBZFMMNVHXHFF-UHFFFAOYSA-N
MW242.71 g/mol
LogP3.42
Rot. Bonds4

About 2-(2-chloropentan-3-yl)-5-methyl-3-nitropyridine

2-(2-chloropentan-3-yl)-5-methyl-3-nitropyridine (PubChem CID 66277888) has the molecular formula C11H15ClN2O2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 2-(2-chloropentan-3-yl)-5-methyl-3-nitropyridine.

Molecular Properties

Compound Name2-(2-chloropentan-3-yl)-5-methyl-3-nitropyridine
PubChem CID66277888
Molecular FormulaC11H15ClN2O2
Molecular Weight242.71 g/mol
Exact Mass242.08
IUPAC Name2-(2-chloropentan-3-yl)-5-methyl-3-nitropyridine
SMILESCCC(c1ncc(C)cc1[N+](=O)[O-])C(C)Cl
InChIInChI=1S/C11H15ClN2O2/c1-4-9(8(3)12)11-10(14(15)16)5-7(2)6-13-11/h5-6,8-9H,4H2,1-3H3
InChIKeyKUBZFMMNVHXHFF-UHFFFAOYSA-N
XLogP3.42
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

2-(3-chloropentan-2-yl)-5-methyl-3-nitropyridine
CID 66278767
(1S)-1-(5-methyl-3-nitro-2-pyridinyl)propan-1-amine
CID 130610698
1-(2-chloropentan-3-yl)-4-methyl-2-nitrobenzene
CID 63202680
2-chloro-5-methyl-3-nitropyridine
CID 139082293
2-(2-chlorobutyl)-5-methyl-4-nitropyridine
CID 83271579
2,5-dimethyl-3-nitropyridine
CID 12626468
5-methyl-3-nitro-2-propan-2-yloxypyridine
CID 124704568
1-N-(5-methyl-3-nitro-2-pyridinyl)butane-1,2-diamine
CID 66279624
1-(2-chloropentan-3-yl)-4,5-dimethoxy-2-nitrobenzene
CID 83007945
2-(2-chlorobutyl)-4-methyl-5-nitropyridine
CID 79176104
2-(4-chlorobutan-2-ylsulfonyl)-5-methyl-3-nitropyridine
CID 66280939
(5-methyl-3-nitro-2-pyridinyl)methanamine;hydrochloride
CID 162421679

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloropentan-3-yl)-5-methyl-3-nitropyridine?
The IUPAC name of 2-(2-chloropentan-3-yl)-5-methyl-3-nitropyridine (CID 66277888) is 2-(2-chloropentan-3-yl)-5-methyl-3-nitropyridine.
What is the SMILES notation for 2-(2-chloropentan-3-yl)-5-methyl-3-nitropyridine?
The canonical SMILES for 2-(2-chloropentan-3-yl)-5-methyl-3-nitropyridine is CCC(c1ncc(C)cc1[N+](=O)[O-])C(C)Cl.
What is the InChIKey of 2-(2-chloropentan-3-yl)-5-methyl-3-nitropyridine?
The InChIKey is KUBZFMMNVHXHFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2/c1-4-9(8(3)12)11-10(14(15)16)5-7(2)6-13-11/h5-6,8-9H,4H2,1-3H3.
What are the key properties of 2-(2-chloropentan-3-yl)-5-methyl-3-nitropyridine?
2-(2-chloropentan-3-yl)-5-methyl-3-nitropyridine has a molecular weight of 242.71 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloropentan-3-yl)-5-methyl-3-nitropyridine is sourced from PubChem (CID 66277888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).