6-chloro-2-(cyclopropylmethylamino)-5-fluoropyridine-3-carboxamide

C10H11ClFN3O — CID 118278443

IUPAC6-chloro-2-(cyclopropylmethylamino)-5-fluoropyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(Cl)nc1NCC1CC1
InChIInChI=1S/C10H11ClFN3O/c11-8-7(12)3-6(9(13)16)10(15-8)14-4-5-1-2-5/h3,5H,1-2,4H2,(H2,13,16)(H,14,15)
InChIKeyFLTZGGFABFWUSP-UHFFFAOYSA-N
MW243.67 g/mol
LogP1.79
Rot. Bonds4

About 6-chloro-2-(cyclopropylmethylamino)-5-fluoropyridine-3-carboxamide

6-chloro-2-(cyclopropylmethylamino)-5-fluoropyridine-3-carboxamide (PubChem CID 118278443) has the molecular formula C10H11ClFN3O and a molecular weight of 243.67 g/mol. Its IUPAC name is 6-chloro-2-(cyclopropylmethylamino)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-2-(cyclopropylmethylamino)-5-fluoropyridine-3-carboxamide
PubChem CID118278443
Molecular FormulaC10H11ClFN3O
Molecular Weight243.67 g/mol
Exact Mass243.06
IUPAC Name6-chloro-2-(cyclopropylmethylamino)-5-fluoropyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(Cl)nc1NCC1CC1
InChIInChI=1S/C10H11ClFN3O/c11-8-7(12)3-6(9(13)16)10(15-8)14-4-5-1-2-5/h3,5H,1-2,4H2,(H2,13,16)(H,14,15)
InChIKeyFLTZGGFABFWUSP-UHFFFAOYSA-N
XLogP1.79
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.67
LogP ≤ 51.79
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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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(cyclopropylmethylamino)-5-fluoropyridine-3-carboxamide?
The IUPAC name of 6-chloro-2-(cyclopropylmethylamino)-5-fluoropyridine-3-carboxamide (CID 118278443) is 6-chloro-2-(cyclopropylmethylamino)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-2-(cyclopropylmethylamino)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 6-chloro-2-(cyclopropylmethylamino)-5-fluoropyridine-3-carboxamide is NC(=O)c1cc(F)c(Cl)nc1NCC1CC1.
What is the InChIKey of 6-chloro-2-(cyclopropylmethylamino)-5-fluoropyridine-3-carboxamide?
The InChIKey is FLTZGGFABFWUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClFN3O/c11-8-7(12)3-6(9(13)16)10(15-8)14-4-5-1-2-5/h3,5H,1-2,4H2,(H2,13,16)(H,14,15).
What are the key properties of 6-chloro-2-(cyclopropylmethylamino)-5-fluoropyridine-3-carboxamide?
6-chloro-2-(cyclopropylmethylamino)-5-fluoropyridine-3-carboxamide has a molecular weight of 243.67 g/mol, XLogP of 1.79, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(cyclopropylmethylamino)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 118278443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).