N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide

C12H10ClF2N3O — CID 103094486

IUPACN-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ncccc1Cl)c1cccn1CC(F)F
InChIInChI=1S/C12H10ClF2N3O/c13-8-3-1-5-16-11(8)17-12(19)9-4-2-6-18(9)7-10(14)15/h1-6,10H,7H2,(H,16,17,19)
InChIKeyFKXHRUQWDGCPGQ-UHFFFAOYSA-N
MW285.68 g/mol
LogP3.05
Rot. Bonds4

About N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide

N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide (PubChem CID 103094486) has the molecular formula C12H10ClF2N3O and a molecular weight of 285.68 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
PubChem CID103094486
Molecular FormulaC12H10ClF2N3O
Molecular Weight285.68 g/mol
Exact Mass285.05
IUPAC NameN-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
SMILESO=C(Nc1ncccc1Cl)c1cccn1CC(F)F
InChIInChI=1S/C12H10ClF2N3O/c13-8-3-1-5-16-11(8)17-12(19)9-4-2-6-18(9)7-10(14)15/h1-6,10H,7H2,(H,16,17,19)
InChIKeyFKXHRUQWDGCPGQ-UHFFFAOYSA-N
XLogP3.05
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.68
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-bromo-4-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609290
N-(5-bromo-2-chlorophenyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide
CID 114609241
5-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-2-carboxylic acid
CID 114609053
1-(2,2-difluoroethyl)-N-[4-(hydroxymethyl)phenyl]pyrrole-2-carboxamide
CID 114609610
N-(3-chloro-2-pyridinyl)-2,5-dimethylpyrazole-3-carboxamide
CID 103943483
3-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]pyridine-4-carboxylic acid
CID 114608880
1-(2,2-difluoroethyl)-N-(3-ethoxy-1H-1,2,4-triazol-5-yl)pyrrole-2-carboxamide
CID 114609996
2-[[1-(2,2-difluoroethyl)pyrrole-2-carbonyl]amino]benzoic acid
CID 114608561
N-(3-chloro-2-pyridinyl)-2-fluoro-3-methylbenzamide
CID 103943460
1-(2,2-difluoroethyl)-N-(2-hydroxy-2-methylpropyl)pyrrole-2-carboxamide
CID 114609622
1-(2,2-difluoroethyl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]pyrrole-2-carboxamide
CID 107846949
N-(3-chloro-2-pyridinyl)-6-fluoropyridine-3-carboxamide
CID 103943564

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide (CID 103094486) is N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide is O=C(Nc1ncccc1Cl)c1cccn1CC(F)F.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
The InChIKey is FKXHRUQWDGCPGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3O/c13-8-3-1-5-16-11(8)17-12(19)9-4-2-6-18(9)7-10(14)15/h1-6,10H,7H2,(H,16,17,19).
What are the key properties of N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide?
N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide has a molecular weight of 285.68 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-1-(2,2-difluoroethyl)pyrrole-2-carboxamide is sourced from PubChem (CID 103094486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).