2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide

C12H8Cl3N3O — CID 60704914

IUPAC2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide
SMILESCc1nc(NC(=O)c2ccnc(Cl)c2)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3N3O/c1-6-8(13)5-9(14)11(17-6)18-12(19)7-2-3-16-10(15)4-7/h2-5H,1H3,(H,17,18,19)
InChIKeyNHFVCKOAJPQFNB-UHFFFAOYSA-N
MW316.58 g/mol
LogP4.00
Rot. Bonds2

About 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide

2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide (PubChem CID 60704914) has the molecular formula C12H8Cl3N3O and a molecular weight of 316.58 g/mol. Its IUPAC name is 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide
PubChem CID60704914
Molecular FormulaC12H8Cl3N3O
Molecular Weight316.58 g/mol
Exact Mass314.97
IUPAC Name2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide
SMILESCc1nc(NC(=O)c2ccnc(Cl)c2)c(Cl)cc1Cl
InChIInChI=1S/C12H8Cl3N3O/c1-6-8(13)5-9(14)11(17-6)18-12(19)7-2-3-16-10(15)4-7/h2-5H,1H3,(H,17,18,19)
InChIKeyNHFVCKOAJPQFNB-UHFFFAOYSA-N
XLogP4.00
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.58
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-3-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)benzamide
CID 81307974
6-bromo-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-3-carboxamide
CID 66462941
N-(3,5-dichloro-6-methyl-2-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 63978781
N-(5-bromo-6-methyl-2-pyridinyl)-2-chloropyridine-4-carboxamide
CID 71987347
N-(3,5-dichloro-6-methyl-2-pyridinyl)-5-iodothiophene-3-carboxamide
CID 79692769
2-chloro-N-[3-chloro-4-(diethylcarbamoyl)phenyl]pyridine-4-carboxamide
CID 34746930
2-chloro-N-(3-chloro-2-pyridinyl)-6-methylpyridine-4-carboxamide
CID 104952774
2-chloro-N-(4-methyl-3-pyridinyl)pyridine-4-carboxamide;ethane
CID 144842731
2-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)pyridine-4-carboxamide
CID 46398912
2-chloro-N-(5,7-dichloro-2,1,3-benzothiadiazol-4-yl)pyridine-4-carboxamide
CID 61053149
2-chloro-N-(4,5-dimethoxy-2-methylphenyl)pyridine-4-carboxamide
CID 32694497
2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)prop-2-enamide
CID 130857020

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide?
The IUPAC name of 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide (CID 60704914) is 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide?
The canonical SMILES for 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide is Cc1nc(NC(=O)c2ccnc(Cl)c2)c(Cl)cc1Cl.
What is the InChIKey of 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide?
The InChIKey is NHFVCKOAJPQFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8Cl3N3O/c1-6-8(13)5-9(14)11(17-6)18-12(19)7-2-3-16-10(15)4-7/h2-5H,1H3,(H,17,18,19).
What are the key properties of 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide?
2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide has a molecular weight of 316.58 g/mol, XLogP of 4.00, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(3,5-dichloro-6-methyl-2-pyridinyl)pyridine-4-carboxamide is sourced from PubChem (CID 60704914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).