N-acetyl-2-chloropyridine-3-carboxamide

C8H7ClN2O2 — CID 61215997

IUPACN-acetyl-2-chloropyridine-3-carboxamide
SMILESCC(=O)NC(=O)c1cccnc1Cl
InChIInChI=1S/C8H7ClN2O2/c1-5(12)11-8(13)6-3-2-4-10-7(6)9/h2-4H,1H3,(H,11,12,13)
InChIKeyFCTDTZCUWDFFSA-UHFFFAOYSA-N
MW198.61 g/mol
LogP1.01
Rot. Bonds1

About N-acetyl-2-chloropyridine-3-carboxamide

N-acetyl-2-chloropyridine-3-carboxamide (PubChem CID 61215997) has the molecular formula C8H7ClN2O2 and a molecular weight of 198.61 g/mol. Its IUPAC name is N-acetyl-2-chloropyridine-3-carboxamide.

Molecular Properties

Compound NameN-acetyl-2-chloropyridine-3-carboxamide
PubChem CID61215997
Molecular FormulaC8H7ClN2O2
Molecular Weight198.61 g/mol
Exact Mass198.02
IUPAC NameN-acetyl-2-chloropyridine-3-carboxamide
SMILESCC(=O)NC(=O)c1cccnc1Cl
InChIInChI=1S/C8H7ClN2O2/c1-5(12)11-8(13)6-3-2-4-10-7(6)9/h2-4H,1H3,(H,11,12,13)
InChIKeyFCTDTZCUWDFFSA-UHFFFAOYSA-N
XLogP1.01
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.61
LogP ≤ 51.01
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

N-[4-(acetylcarbamothioylamino)phenyl]-2-chloropyridine-3-carboxamide
CID 930095
2-chloro-N-ethylpyridine-3-carboxamide
CID 9182570
2-chloro-N-(pyrimidin-2-ylcarbamothioyl)pyridine-3-carboxamide
CID 53349684
2-chloro-N-propylpyridine-3-carboxamide
CID 4286757
2-chloro-N-propan-2-yloxypyridine-3-carboxamide
CID 131020974
2-chloro-N-(methoxymethyl)pyridine-3-carboxamide
CID 71433413
2-chloropyridine-3-carbonyl chloride;ethane
CID 91362446
2-chloro-N-(3-chloro-2-pyridinyl)pyridine-3-carboxamide
CID 103892911
2-[(2-chloropyridine-3-carbonyl)amino]pyridine-3-carboxylic acid
CID 114036719
N-(2-tert-butylphenyl)-2-chloropyridine-3-carboxamide
CID 60628052
2-chloro-N-[(2R)-2-hydroxypropyl]pyridine-3-carboxamide
CID 93419851
2-acetamido-N-(2-chloro-3-pyridinyl)benzamide
CID 13143772

Frequently Asked Questions

What is the IUPAC name of N-acetyl-2-chloropyridine-3-carboxamide?
The IUPAC name of N-acetyl-2-chloropyridine-3-carboxamide (CID 61215997) is N-acetyl-2-chloropyridine-3-carboxamide.
What is the SMILES notation for N-acetyl-2-chloropyridine-3-carboxamide?
The canonical SMILES for N-acetyl-2-chloropyridine-3-carboxamide is CC(=O)NC(=O)c1cccnc1Cl.
What is the InChIKey of N-acetyl-2-chloropyridine-3-carboxamide?
The InChIKey is FCTDTZCUWDFFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClN2O2/c1-5(12)11-8(13)6-3-2-4-10-7(6)9/h2-4H,1H3,(H,11,12,13).
What are the key properties of N-acetyl-2-chloropyridine-3-carboxamide?
N-acetyl-2-chloropyridine-3-carboxamide has a molecular weight of 198.61 g/mol, XLogP of 1.01, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-acetyl-2-chloropyridine-3-carboxamide is sourced from PubChem (CID 61215997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).