6-chloropyridine-3-carboxamide;dihydrochloride

C6H7Cl3N2O — CID 87764201

IUPAC6-chloropyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C6H5ClN2O.2ClH/c7-5-2-1-4(3-9-5)6(8)10;;/h1-3H,(H2,8,10);2*1H
InChIKeyWXZBNZHHJJWYOC-UHFFFAOYSA-N
MW229.49 g/mol
LogP1.68
Rot. Bonds1

About 6-chloropyridine-3-carboxamide;dihydrochloride

6-chloropyridine-3-carboxamide;dihydrochloride (PubChem CID 87764201) has the molecular formula C6H7Cl3N2O and a molecular weight of 229.49 g/mol. Its IUPAC name is 6-chloropyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name6-chloropyridine-3-carboxamide;dihydrochloride
PubChem CID87764201
Molecular FormulaC6H7Cl3N2O
Molecular Weight229.49 g/mol
Exact Mass227.96
IUPAC Name6-chloropyridine-3-carboxamide;dihydrochloride
SMILESCl.Cl.NC(=O)c1ccc(Cl)nc1
InChIInChI=1S/C6H5ClN2O.2ClH/c7-5-2-1-4(3-9-5)6(8)10;;/h1-3H,(H2,8,10);2*1H
InChIKeyWXZBNZHHJJWYOC-UHFFFAOYSA-N
XLogP1.68
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.49
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(6-chloro-3-pyridinyl)ethanone;hydrochloride
CID 88879940
6-chloropyridine-3-carboxylate
CID 6933309
6-chloropyridine-3-carbonyl chloride;6-chloropyridine-3-carboxylic acid;hydrochloride
CID 158925044
N,N-bis(2-amino-2-oxoethyl)-6-chloropyridine-3-carboxamide
CID 62923762
chloromethyl 6-chloropyridine-3-carboxylate
CID 22459863
1-(6-chloro-3-pyridinyl)-6-oxopyridine-3-carboxamide
CID 171100709
[amino-(4-chlorophenyl)methylidene]-(6-chloropyridine-3-carbonyl)azanium
CID 6933633
3-(6-chloro-3-pyridinyl)-3-oxopropanoic acid
CID 55267358
(6-chloro-3-pyridinyl)-cyclopropylmethanone
CID 11550101
[(2R)-1-(4-carbamoylanilino)-1-oxopropan-2-yl] 6-chloropyridine-3-carboxylate
CID 8017632
2-chloro-5-methylpyridine;ethane;3-methylbenzamide
CID 142196503
ethyl 2-(6-chloro-3-pyridinyl)prop-2-enoate
CID 19082033

Frequently Asked Questions

What is the IUPAC name of 6-chloropyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 6-chloropyridine-3-carboxamide;dihydrochloride (CID 87764201) is 6-chloropyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 6-chloropyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 6-chloropyridine-3-carboxamide;dihydrochloride is Cl.Cl.NC(=O)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloropyridine-3-carboxamide;dihydrochloride?
The InChIKey is WXZBNZHHJJWYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H5ClN2O.2ClH/c7-5-2-1-4(3-9-5)6(8)10;;/h1-3H,(H2,8,10);2*1H.
What are the key properties of 6-chloropyridine-3-carboxamide;dihydrochloride?
6-chloropyridine-3-carboxamide;dihydrochloride has a molecular weight of 229.49 g/mol, XLogP of 1.68, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloropyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 87764201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).