4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide

C7H6ClF2N3O — CID 118839727

IUPAC4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cl)c(C(F)F)c1N
InChIInChI=1S/C7H6ClF2N3O/c8-5-3(6(9)10)4(11)2(1-13-5)7(12)14/h1,6H,(H2,11,13)(H2,12,14)
InChIKeyWEUXZKMKAICWHQ-UHFFFAOYSA-N
MW221.59 g/mol
LogP1.35
Rot. Bonds2

About 4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide

4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide (PubChem CID 118839727) has the molecular formula C7H6ClF2N3O and a molecular weight of 221.59 g/mol. Its IUPAC name is 4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide
PubChem CID118839727
Molecular FormulaC7H6ClF2N3O
Molecular Weight221.59 g/mol
Exact Mass221.02
IUPAC Name4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide
SMILESNC(=O)c1cnc(Cl)c(C(F)F)c1N
InChIInChI=1S/C7H6ClF2N3O/c8-5-3(6(9)10)4(11)2(1-13-5)7(12)14/h1,6H,(H2,11,13)(H2,12,14)
InChIKeyWEUXZKMKAICWHQ-UHFFFAOYSA-N
XLogP1.35
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.59
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-amino-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 118818070
4-chloro-5-(difluoromethyl)-6-fluoropyridine-3-carboxamide
CID 118833693
3-amino-5-chloro-4-(difluoromethyl)pyridine-2-carboxamide
CID 130103158
6-chloro-4-(difluoromethyl)-5-fluoropyridine-3-carbonyl chloride
CID 130072079
5-(difluoromethyl)-4,6-dimethylpyridine-3-carboxamide
CID 130101517
5-amino-2-chloro-4-(difluoromethyl)pyridine-3-carbonyl chloride
CID 130103047
2-amino-5-chloro-3-(difluoromethyl)pyridine-4-carboxamide
CID 119014359
2-chloro-3-(difluoromethyl)-5-(trifluoromethoxy)pyridin-4-amine
CID 118811897
4-bromo-5-(difluoromethyl)-6-methylpyridine-3-carboxamide
CID 118844639
3-amino-2-chloro-5-(difluoromethyl)pyridine-4-carbonyl chloride
CID 130103026
methyl 4-amino-5-(difluoromethyl)-6-fluoropyridine-3-carboxylate
CID 130104324
5-chloro-3-(difluoromethyl)-2-fluoropyridine-4-carboxamide
CID 130072218

Frequently Asked Questions

What is the IUPAC name of 4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide?
The IUPAC name of 4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide (CID 118839727) is 4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide.
What is the SMILES notation for 4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide?
The canonical SMILES for 4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide is NC(=O)c1cnc(Cl)c(C(F)F)c1N.
What is the InChIKey of 4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide?
The InChIKey is WEUXZKMKAICWHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClF2N3O/c8-5-3(6(9)10)4(11)2(1-13-5)7(12)14/h1,6H,(H2,11,13)(H2,12,14).
What are the key properties of 4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide?
4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide has a molecular weight of 221.59 g/mol, XLogP of 1.35, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-6-chloro-5-(difluoromethyl)pyridine-3-carboxamide is sourced from PubChem (CID 118839727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).