3-chloro-5-(nitromethyl)pyridine

C6H5ClN2O2 — CID 174805043

IUPAC3-chloro-5-(nitromethyl)pyridine
SMILESO=[N+]([O-])Cc1cncc(Cl)c1
InChIInChI=1S/C6H5ClN2O2/c7-6-1-5(2-8-3-6)4-9(10)11/h1-3H,4H2
InChIKeyZQVYHJWHARMCQV-UHFFFAOYSA-N
MW172.57 g/mol
LogP1.51
Rot. Bonds2

About 3-chloro-5-(nitromethyl)pyridine

3-chloro-5-(nitromethyl)pyridine (PubChem CID 174805043) has the molecular formula C6H5ClN2O2 and a molecular weight of 172.57 g/mol. Its IUPAC name is 3-chloro-5-(nitromethyl)pyridine.

Molecular Properties

Compound Name3-chloro-5-(nitromethyl)pyridine
PubChem CID174805043
Molecular FormulaC6H5ClN2O2
Molecular Weight172.57 g/mol
Exact Mass172.00
IUPAC Name3-chloro-5-(nitromethyl)pyridine
SMILESO=[N+]([O-])Cc1cncc(Cl)c1
InChIInChI=1S/C6H5ClN2O2/c7-6-1-5(2-8-3-6)4-9(10)11/h1-3H,4H2
InChIKeyZQVYHJWHARMCQV-UHFFFAOYSA-N
XLogP1.51
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.57
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

3-chloro-5-ethylpyridine;ethane
CID 143545775
(5-chloro-3-pyridinyl)methanesulfinic acid
CID 174635125
2-chloro-1-fluoro-4-(nitromethyl)benzene
CID 87467608
1-chloro-4-(nitromethyl)benzene;methanol
CID 174932452
methyl 2-(5-chloro-3-pyridinyl)acetate
CID 91594815
3-chloro-5-octylpyridine
CID 138579116
3-chloro-5-[2-(3-chlorophenyl)ethyl]pyridine
CID 70026802
3,5-dichloropyridine;ethane
CID 142010125
4-(nitromethyl)benzenesulfonyl chloride
CID 18506179
1-[(5-chloro-3-pyridinyl)methyl]pyrazol-4-amine
CID 165479511
2-chloro-5-[(5-chloro-3-pyridinyl)methyl]-1,3-thiazole
CID 70242360
3-(5-chloro-3-pyridinyl)-2-(methylamino)propanoic acid
CID 155128029

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-(nitromethyl)pyridine?
The IUPAC name of 3-chloro-5-(nitromethyl)pyridine (CID 174805043) is 3-chloro-5-(nitromethyl)pyridine.
What is the SMILES notation for 3-chloro-5-(nitromethyl)pyridine?
The canonical SMILES for 3-chloro-5-(nitromethyl)pyridine is O=[N+]([O-])Cc1cncc(Cl)c1.
What is the InChIKey of 3-chloro-5-(nitromethyl)pyridine?
The InChIKey is ZQVYHJWHARMCQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O2/c7-6-1-5(2-8-3-6)4-9(10)11/h1-3H,4H2.
What are the key properties of 3-chloro-5-(nitromethyl)pyridine?
3-chloro-5-(nitromethyl)pyridine has a molecular weight of 172.57 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-(nitromethyl)pyridine is sourced from PubChem (CID 174805043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).