2-chloro-N-methylpyrimidine-5-carboxamide;formic acid

C7H8ClN3O3 — CID 175908373

IUPAC2-chloro-N-methylpyrimidine-5-carboxamide;formic acid
SMILESCNC(=O)c1cnc(Cl)nc1.O=CO
InChIInChI=1S/C6H6ClN3O.CH2O2/c1-8-5(11)4-2-9-6(7)10-3-4;2-1-3/h2-3H,1H3,(H,8,11);1H,(H,2,3)
InChIKeyDNYAQJIOCNIBPW-UHFFFAOYSA-N
MW217.61 g/mol
LogP0.19
Rot. Bonds1

About 2-chloro-N-methylpyrimidine-5-carboxamide;formic acid

2-chloro-N-methylpyrimidine-5-carboxamide;formic acid (PubChem CID 175908373) has the molecular formula C7H8ClN3O3 and a molecular weight of 217.61 g/mol. Its IUPAC name is 2-chloro-N-methylpyrimidine-5-carboxamide;formic acid.

Molecular Properties

Compound Name2-chloro-N-methylpyrimidine-5-carboxamide;formic acid
PubChem CID175908373
Molecular FormulaC7H8ClN3O3
Molecular Weight217.61 g/mol
Exact Mass217.03
IUPAC Name2-chloro-N-methylpyrimidine-5-carboxamide;formic acid
SMILESCNC(=O)c1cnc(Cl)nc1.O=CO
InChIInChI=1S/C6H6ClN3O.CH2O2/c1-8-5(11)4-2-9-6(7)10-3-4;2-1-3/h2-3H,1H3,(H,8,11);1H,(H,2,3)
InChIKeyDNYAQJIOCNIBPW-UHFFFAOYSA-N
XLogP0.19
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.61
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 2-chloro-N-methylpyrimidine-5-carboxamide;formic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(2-chloropyrimidine-5-carbonyl)amino]propanoic acid
CID 127019223
N-methylpyrimidine-5-carboxamide
CID 23534458
2-chloro-N-[(2R)-1-hydroxypropan-2-yl]pyrimidine-5-carboxamide
CID 130550792
6-iodo-N-methylpyridine-3-carboxamide
CID 122468832
1-N,3-N,5-N-trimethylbenzene-1,3,5-tricarboxamide
CID 22943140
5-amino-N,6-dimethylpyridine-3-carboxamide
CID 130268868
6-hydrazinyl-N-methylpyridine-3-carboxamide;technetium-99
CID 2826732
5-chloro-N-methyl-1H-imidazole-2-carboxamide
CID 166893313
3-N-(5-chloro-1,3-thiazol-2-yl)-1-N-methylbenzene-1,3-dicarboxamide
CID 71863879
6-chloro-N-[2-chloro-5-(methylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 60795097
5-chloro-6-(cyclopropylmethoxy)-N-methylpyridine-3-carboxamide
CID 75503604
6-chloro-N-(2-chloropyrimidin-5-yl)pyridine-3-carboxamide
CID 10125350

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-methylpyrimidine-5-carboxamide;formic acid?
The IUPAC name of 2-chloro-N-methylpyrimidine-5-carboxamide;formic acid (CID 175908373) is 2-chloro-N-methylpyrimidine-5-carboxamide;formic acid.
What is the SMILES notation for 2-chloro-N-methylpyrimidine-5-carboxamide;formic acid?
The canonical SMILES for 2-chloro-N-methylpyrimidine-5-carboxamide;formic acid is CNC(=O)c1cnc(Cl)nc1.O=CO.
What is the InChIKey of 2-chloro-N-methylpyrimidine-5-carboxamide;formic acid?
The InChIKey is DNYAQJIOCNIBPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClN3O.CH2O2/c1-8-5(11)4-2-9-6(7)10-3-4;2-1-3/h2-3H,1H3,(H,8,11);1H,(H,2,3).
What are the key properties of 2-chloro-N-methylpyrimidine-5-carboxamide;formic acid?
2-chloro-N-methylpyrimidine-5-carboxamide;formic acid has a molecular weight of 217.61 g/mol, XLogP of 0.19, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-methylpyrimidine-5-carboxamide;formic acid is sourced from PubChem (CID 175908373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).