acetic acid;2-(chloromethyl)pyridine

C8H10ClNO2 — CID 174751578

IUPACacetic acid;2-(chloromethyl)pyridine
SMILESCC(=O)O.ClCc1ccccn1
InChIInChI=1S/C6H6ClN.C2H4O2/c7-5-6-3-1-2-4-8-6;1-2(3)4/h1-4H,5H2;1H3,(H,3,4)
InChIKeyHZDWSYYWMOHSBE-UHFFFAOYSA-N
MW187.63 g/mol
LogP1.91
Rot. Bonds1

About acetic acid;2-(chloromethyl)pyridine

acetic acid;2-(chloromethyl)pyridine (PubChem CID 174751578) has the molecular formula C8H10ClNO2 and a molecular weight of 187.63 g/mol. Its IUPAC name is acetic acid;2-(chloromethyl)pyridine.

Molecular Properties

Compound Nameacetic acid;2-(chloromethyl)pyridine
PubChem CID174751578
Molecular FormulaC8H10ClNO2
Molecular Weight187.63 g/mol
Exact Mass187.04
IUPAC Nameacetic acid;2-(chloromethyl)pyridine
SMILESCC(=O)O.ClCc1ccccn1
InChIInChI=1S/C6H6ClN.C2H4O2/c7-5-6-3-1-2-4-8-6;1-2(3)4/h1-4H,5H2;1H3,(H,3,4)
InChIKeyHZDWSYYWMOHSBE-UHFFFAOYSA-N
XLogP1.91
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.63
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)pyridine;hydron;chloride
CID 67269716
acetic acid;2-ethylpyridine
CID 70072313
acetic acid;pyridin-2-ylmethanethiol
CID 20560339
acetic acid;2-propylpyridine;hydrobromide
CID 70094168
acetic acid;2-(methylsulfonylmethyl)pyridine
CID 174445775
ethane;2-ethylpyridine;propan-2-one
CID 91062133
acetic acid;2-[bis(pyridin-2-ylmethyl)amino]acetic acid
CID 162118901
CID 131857449
CID 131857449
acetic acid;bis(1,3-bis[bis(pyridin-2-ylmethyl)amino]propan-2-ol);manganese
CID 158480900
(Z)-but-2-enedioic acid;bis(trimethoxy(2-pyridin-2-ylethyl)silane)
CID 173055339
4-chloro-N-methyl-N-(pyridin-2-ylmethyl)butanamide
CID 63309527
5-chloro-N-methyl-N-(pyridin-2-ylmethyl)pentanamide
CID 43565136

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-(chloromethyl)pyridine?
The IUPAC name of acetic acid;2-(chloromethyl)pyridine (CID 174751578) is acetic acid;2-(chloromethyl)pyridine.
What is the SMILES notation for acetic acid;2-(chloromethyl)pyridine?
The canonical SMILES for acetic acid;2-(chloromethyl)pyridine is CC(=O)O.ClCc1ccccn1.
What is the InChIKey of acetic acid;2-(chloromethyl)pyridine?
The InChIKey is HZDWSYYWMOHSBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN.C2H4O2/c7-5-6-3-1-2-4-8-6;1-2(3)4/h1-4H,5H2;1H3,(H,3,4).
What are the key properties of acetic acid;2-(chloromethyl)pyridine?
acetic acid;2-(chloromethyl)pyridine has a molecular weight of 187.63 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-(chloromethyl)pyridine is sourced from PubChem (CID 174751578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).