2-chloro-3-(nitrosomethyl)pyridine

C6H5ClN2O — CID 91182723

IUPAC2-chloro-3-(nitrosomethyl)pyridine
SMILESO=NCc1cccnc1Cl
InChIInChI=1S/C6H5ClN2O/c7-6-5(4-9-10)2-1-3-8-6/h1-3H,4H2
InChIKeyVSWCQIRQAIMQOD-UHFFFAOYSA-N
MW156.57 g/mol
LogP2.00
Rot. Bonds2

About 2-chloro-3-(nitrosomethyl)pyridine

2-chloro-3-(nitrosomethyl)pyridine (PubChem CID 91182723) has the molecular formula C6H5ClN2O and a molecular weight of 156.57 g/mol. Its IUPAC name is 2-chloro-3-(nitrosomethyl)pyridine.

Molecular Properties

Compound Name2-chloro-3-(nitrosomethyl)pyridine
PubChem CID91182723
Molecular FormulaC6H5ClN2O
Molecular Weight156.57 g/mol
Exact Mass156.01
IUPAC Name2-chloro-3-(nitrosomethyl)pyridine
SMILESO=NCc1cccnc1Cl
InChIInChI=1S/C6H5ClN2O/c7-6-5(4-9-10)2-1-3-8-6/h1-3H,4H2
InChIKeyVSWCQIRQAIMQOD-UHFFFAOYSA-N
XLogP2.00
TPSA42.32 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.57
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-benzyl-2-chloropyridine
CID 22768075
1-(2-chloro-3-pyridinyl)-N-methylmethanamine
CID 22450444
1-(2-chloro-3-pyridinyl)-N-[(2-chloro-3-pyridinyl)methyl]-N-methylmethanamine
CID 139621054
2-chloro-3-(ethylsulfanylmethyl)pyridine
CID 62465007
1-[(2-chloro-3-pyridinyl)methyl]pyridin-4-one
CID 62879655
(2-chloro-3-pyridinyl)methanol;ethane;methanesulfonyl chloride
CID 91445255
2-chloro-3-[(2-methylpropan-2-yl)oxymethyl]pyridine
CID 62470687
2-chloro-3-pentylpyridine
CID 54505218
N,2-bis(2-chloro-3-pyridinyl)acetamide
CID 139691100
3-(2-chloro-3-pyridinyl)-2-methylpropanoic acid
CID 139894647
2-amino-3-(2-chloro-3-pyridinyl)propanoic acid
CID 22326364
2-chloro-3-dodecylpyridine
CID 54546812

Frequently Asked Questions

What is the IUPAC name of 2-chloro-3-(nitrosomethyl)pyridine?
The IUPAC name of 2-chloro-3-(nitrosomethyl)pyridine (CID 91182723) is 2-chloro-3-(nitrosomethyl)pyridine.
What is the SMILES notation for 2-chloro-3-(nitrosomethyl)pyridine?
The canonical SMILES for 2-chloro-3-(nitrosomethyl)pyridine is O=NCc1cccnc1Cl.
What is the InChIKey of 2-chloro-3-(nitrosomethyl)pyridine?
The InChIKey is VSWCQIRQAIMQOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O/c7-6-5(4-9-10)2-1-3-8-6/h1-3H,4H2.
What are the key properties of 2-chloro-3-(nitrosomethyl)pyridine?
2-chloro-3-(nitrosomethyl)pyridine has a molecular weight of 156.57 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-3-(nitrosomethyl)pyridine is sourced from PubChem (CID 91182723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).