2-chloro-1-(tetrazolo[1,5-a]pyridin-6-yl)ethanone;hydrochloride

C7H6Cl2N4O — CID 11622761

IUPAC2-chloro-1-(tetrazolo[1,5-a]pyridin-6-yl)ethanone;hydrochloride
SMILESCl.O=C(CCl)c1ccc2nnnn2c1
InChIInChI=1S/C7H5ClN4O.ClH/c8-3-6(13)5-1-2-7-9-10-11-12(7)4-5;/h1-2,4H,3H2;1H
InChIKeyLGTICXRLUBXBKN-UHFFFAOYSA-N
MW233.06 g/mol
LogP0.97
Rot. Bonds2

About 2-chloro-1-(tetrazolo[1,5-a]pyridin-6-yl)ethanone;hydrochloride

2-chloro-1-(tetrazolo[1,5-a]pyridin-6-yl)ethanone;hydrochloride (PubChem CID 11622761) has the molecular formula C7H6Cl2N4O and a molecular weight of 233.06 g/mol. Its IUPAC name is 2-chloro-1-(tetrazolo[1,5-a]pyridin-6-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-chloro-1-(tetrazolo[1,5-a]pyridin-6-yl)ethanone;hydrochloride
PubChem CID11622761
Molecular FormulaC7H6Cl2N4O
Molecular Weight233.06 g/mol
Exact Mass231.99
IUPAC Name2-chloro-1-(tetrazolo[1,5-a]pyridin-6-yl)ethanone;hydrochloride
SMILESCl.O=C(CCl)c1ccc2nnnn2c1
InChIInChI=1S/C7H5ClN4O.ClH/c8-3-6(13)5-1-2-7-9-10-11-12(7)4-5;/h1-2,4H,3H2;1H
InChIKeyLGTICXRLUBXBKN-UHFFFAOYSA-N
XLogP0.97
TPSA60.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[4-(cyclopropylmethyl)piperazin-1-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 84586833
N-[(4S)-2,2-dimethyloxan-4-yl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 96557415
(2-ethyl-2-methylmorpholin-4-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 139005716
N-[3-(3-chlorophenoxy)propyl]-N-methyltetrazolo[1,5-a]pyridine-6-carboxamide
CID 71853795
(4-hydroxy-3,4-dihydro-1H-isoquinolin-2-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 70711621
N-[(4-cyclohexyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 131951388
N-methyl-N-(quinolin-5-ylmethyl)tetrazolo[1,5-a]pyridine-6-carboxamide
CID 70727747
N-[2-(4-propan-2-ylmorpholin-2-yl)ethyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 56706351
N-[[1-(4-methoxyphenyl)cyclopentyl]methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 74240891
(2-tert-butylmorpholin-4-yl)-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 139005848
tetrazolo[1,5-a]pyridine-7-carboxamide
CID 140609958
[(2R)-2-phenylmorpholin-4-yl]-(tetrazolo[1,5-a]pyridin-6-yl)methanone
CID 96558365

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(tetrazolo[1,5-a]pyridin-6-yl)ethanone;hydrochloride?
The IUPAC name of 2-chloro-1-(tetrazolo[1,5-a]pyridin-6-yl)ethanone;hydrochloride (CID 11622761) is 2-chloro-1-(tetrazolo[1,5-a]pyridin-6-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-chloro-1-(tetrazolo[1,5-a]pyridin-6-yl)ethanone;hydrochloride?
The canonical SMILES for 2-chloro-1-(tetrazolo[1,5-a]pyridin-6-yl)ethanone;hydrochloride is Cl.O=C(CCl)c1ccc2nnnn2c1.
What is the InChIKey of 2-chloro-1-(tetrazolo[1,5-a]pyridin-6-yl)ethanone;hydrochloride?
The InChIKey is LGTICXRLUBXBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN4O.ClH/c8-3-6(13)5-1-2-7-9-10-11-12(7)4-5;/h1-2,4H,3H2;1H.
What are the key properties of 2-chloro-1-(tetrazolo[1,5-a]pyridin-6-yl)ethanone;hydrochloride?
2-chloro-1-(tetrazolo[1,5-a]pyridin-6-yl)ethanone;hydrochloride has a molecular weight of 233.06 g/mol, XLogP of 0.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(tetrazolo[1,5-a]pyridin-6-yl)ethanone;hydrochloride is sourced from PubChem (CID 11622761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).