2-chloro-N-[2-(4-chlorotriazol-1-yl)phenyl]pyridine-3-carboxamide

C14H9Cl2N5O — CID 175358434

IUPAC2-chloro-N-[2-(4-chlorotriazol-1-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1-n1cc(Cl)nn1)c1cccnc1Cl
InChIInChI=1S/C14H9Cl2N5O/c15-12-8-21(20-19-12)11-6-2-1-5-10(11)18-14(22)9-4-3-7-17-13(9)16/h1-8H,(H,18,22)
InChIKeyAFPKBYRXJFAFFD-UHFFFAOYSA-N
MW334.17 g/mol
LogP3.22
Rot. Bonds3

About 2-chloro-N-[2-(4-chlorotriazol-1-yl)phenyl]pyridine-3-carboxamide

2-chloro-N-[2-(4-chlorotriazol-1-yl)phenyl]pyridine-3-carboxamide (PubChem CID 175358434) has the molecular formula C14H9Cl2N5O and a molecular weight of 334.17 g/mol. Its IUPAC name is 2-chloro-N-[2-(4-chlorotriazol-1-yl)phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-(4-chlorotriazol-1-yl)phenyl]pyridine-3-carboxamide
PubChem CID175358434
Molecular FormulaC14H9Cl2N5O
Molecular Weight334.17 g/mol
Exact Mass333.02
IUPAC Name2-chloro-N-[2-(4-chlorotriazol-1-yl)phenyl]pyridine-3-carboxamide
SMILESO=C(Nc1ccccc1-n1cc(Cl)nn1)c1cccnc1Cl
InChIInChI=1S/C14H9Cl2N5O/c15-12-8-21(20-19-12)11-6-2-1-5-10(11)18-14(22)9-4-3-7-17-13(9)16/h1-8H,(H,18,22)
InChIKeyAFPKBYRXJFAFFD-UHFFFAOYSA-N
XLogP3.22
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.17
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(4-acetylpiperazin-1-yl)phenyl]-2-chloropyridine-3-carboxamide
CID 17102731
2-chloro-N-(2-chloro-3-pyridinyl)benzamide
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methyl 2-[(2-chloropyridine-3-carbonyl)amino]benzoate
CID 4051547
2-chloro-N-(2-pyrazol-1-yl-3-pyridinyl)pyridine-3-carboxamide
CID 60748520
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
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N-(2-chloro-3-pyridinyl)-2-(methylamino)benzamide
CID 61375906
2-chloro-N-[2-(pyridin-3-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 30336522
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772
2-chloro-N-[2-(difluoromethoxy)phenyl]pyridine-3-carboxamide
CID 953108
2-chloro-N-[2-(4-fluorophenyl)phenyl]pyridine-3-carboxamide
CID 15390136
2-chloro-N-(2-methyltetrazol-5-yl)pyridine-3-carboxamide
CID 938393
N-(2-chloro-3-pyridinyl)-2-ethylbenzamide
CID 103817631

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(4-chlorotriazol-1-yl)phenyl]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[2-(4-chlorotriazol-1-yl)phenyl]pyridine-3-carboxamide (CID 175358434) is 2-chloro-N-[2-(4-chlorotriazol-1-yl)phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-(4-chlorotriazol-1-yl)phenyl]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[2-(4-chlorotriazol-1-yl)phenyl]pyridine-3-carboxamide is O=C(Nc1ccccc1-n1cc(Cl)nn1)c1cccnc1Cl.
What is the InChIKey of 2-chloro-N-[2-(4-chlorotriazol-1-yl)phenyl]pyridine-3-carboxamide?
The InChIKey is AFPKBYRXJFAFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5O/c15-12-8-21(20-19-12)11-6-2-1-5-10(11)18-14(22)9-4-3-7-17-13(9)16/h1-8H,(H,18,22).
What are the key properties of 2-chloro-N-[2-(4-chlorotriazol-1-yl)phenyl]pyridine-3-carboxamide?
2-chloro-N-[2-(4-chlorotriazol-1-yl)phenyl]pyridine-3-carboxamide has a molecular weight of 334.17 g/mol, XLogP of 3.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(4-chlorotriazol-1-yl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 175358434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).