trans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide

C10H9ClF2N2O — CID 146083394

IUPACtrans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)[C@H]1C[C@@H]1C(F)F
InChIInChI=1S/C10H9ClF2N2O/c11-8-2-1-5(4-14-8)15-10(16)7-3-6(7)9(12)13/h1-2,4,6-7,9H,3H2,(H,15,16)/t6-,7-/m0/s1
InChIKeyWRTZVRVJYFKBDH-BQBZGAKWSA-N
MW246.64 g/mol
LogP2.57
Rot. Bonds3

About trans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide

trans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide (PubChem CID 146083394) has the molecular formula C10H9ClF2N2O and a molecular weight of 246.64 g/mol. Its IUPAC name is trans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Nametrans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide
PubChem CID146083394
Molecular FormulaC10H9ClF2N2O
Molecular Weight246.64 g/mol
Exact Mass246.04
IUPAC Nametrans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)[C@H]1C[C@@H]1C(F)F
InChIInChI=1S/C10H9ClF2N2O/c11-8-2-1-5(4-14-8)15-10(16)7-3-6(7)9(12)13/h1-2,4,6-7,9H,3H2,(H,15,16)/t6-,7-/m0/s1
InChIKeyWRTZVRVJYFKBDH-BQBZGAKWSA-N
XLogP2.57
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.64
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 trans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of trans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide (CID 146083394) is trans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for trans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for trans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide is O=C(Nc1ccc(Cl)nc1)[C@H]1C[C@@H]1C(F)F.
What is the InChIKey of trans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is WRTZVRVJYFKBDH-BQBZGAKWSA-N. The full InChI is InChI=1S/C10H9ClF2N2O/c11-8-2-1-5(4-14-8)15-10(16)7-3-6(7)9(12)13/h1-2,4,6-7,9H,3H2,(H,15,16)/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide?
trans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 246.64 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-N-(6-chloro-3-pyridinyl)-2-(difluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 146083394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).