2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide

C13H7Cl3F3N3O — CID 22027356

IUPAC2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ncc(C(F)(F)F)cc1Cl)c1c(Cl)ccnc1Cl
InChIInChI=1S/C13H7Cl3F3N3O/c14-7-1-2-20-11(16)10(7)12(23)22-5-9-8(15)3-6(4-21-9)13(17,18)19/h1-4H,5H2,(H,22,23)
InChIKeyJQRDBKCTCFNWFS-UHFFFAOYSA-N
MW384.57 g/mol
LogP4.39
Rot. Bonds3

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

2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide (PubChem CID 22027356) has the molecular formula C13H7Cl3F3N3O and a molecular weight of 384.57 g/mol. Its IUPAC name is 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
PubChem CID22027356
Molecular FormulaC13H7Cl3F3N3O
Molecular Weight384.57 g/mol
Exact Mass382.96
IUPAC Name2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide
SMILESO=C(NCc1ncc(C(F)(F)F)cc1Cl)c1c(Cl)ccnc1Cl
InChIInChI=1S/C13H7Cl3F3N3O/c14-7-1-2-20-11(16)10(7)12(23)22-5-9-8(15)3-6(4-21-9)13(17,18)19/h1-4H,5H2,(H,22,23)
InChIKeyJQRDBKCTCFNWFS-UHFFFAOYSA-N
XLogP4.39
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.57
LogP ≤ 54.39
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

2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 22027361
2-(4-chlorophenyl)-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]acetamide
CID 110208650
1-(4-chlorophenyl)-3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]urea
CID 2745367
1-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-3-phenylurea
CID 2745366
2-chloro-N-[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]ethyl]acetamide
CID 53405659
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-(pyridin-2-ylmethyl)acetamide
CID 1491777
2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-N-[3-[[2-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]acetyl]amino]propyl]acetamide
CID 3759280
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]morpholine-4-carboxamide
CID 66989884
2,6-dichloro-N-[(3-chloro-5-methyl-2-pyridinyl)methyl]benzamide
CID 58990268
N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]-2,6-dimethylimidazo[2,1-b][1,3]thiazole-5-carboxamide
CID 118264310
3-chloro-N-[(2-methyltriazol-4-yl)methyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 138023481
2-chloro-N-[(2,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridine-3-carboxamide
CID 631511

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide (CID 22027356) is 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide is O=C(NCc1ncc(C(F)(F)F)cc1Cl)c1c(Cl)ccnc1Cl.
What is the InChIKey of 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
The InChIKey is JQRDBKCTCFNWFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7Cl3F3N3O/c14-7-1-2-20-11(16)10(7)12(23)22-5-9-8(15)3-6(4-21-9)13(17,18)19/h1-4H,5H2,(H,22,23).
What are the key properties of 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide?
2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide has a molecular weight of 384.57 g/mol, XLogP of 4.39, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 22027356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).