2-[bis(cyclopropylmethyl)amino]-6-fluoropyridine-3-carbaldehyde

C14H17FN2O — CID 58795796

IUPAC2-[bis(cyclopropylmethyl)amino]-6-fluoropyridine-3-carbaldehyde
SMILESO=Cc1ccc(F)nc1N(CC1CC1)CC1CC1
InChIInChI=1S/C14H17FN2O/c15-13-6-5-12(9-18)14(16-13)17(7-10-1-2-10)8-11-3-4-11/h5-6,9-11H,1-4,7-8H2
InChIKeyCGCPYORGTQSVJZ-UHFFFAOYSA-N
MW248.30 g/mol
LogP2.66
Rot. Bonds6

About 2-[bis(cyclopropylmethyl)amino]-6-fluoropyridine-3-carbaldehyde

2-[bis(cyclopropylmethyl)amino]-6-fluoropyridine-3-carbaldehyde (PubChem CID 58795796) has the molecular formula C14H17FN2O and a molecular weight of 248.30 g/mol. Its IUPAC name is 2-[bis(cyclopropylmethyl)amino]-6-fluoropyridine-3-carbaldehyde.

Molecular Properties

Compound Name2-[bis(cyclopropylmethyl)amino]-6-fluoropyridine-3-carbaldehyde
PubChem CID58795796
Molecular FormulaC14H17FN2O
Molecular Weight248.30 g/mol
Exact Mass248.13
IUPAC Name2-[bis(cyclopropylmethyl)amino]-6-fluoropyridine-3-carbaldehyde
SMILESO=Cc1ccc(F)nc1N(CC1CC1)CC1CC1
InChIInChI=1S/C14H17FN2O/c15-13-6-5-12(9-18)14(16-13)17(7-10-1-2-10)8-11-3-4-11/h5-6,9-11H,1-4,7-8H2
InChIKeyCGCPYORGTQSVJZ-UHFFFAOYSA-N
XLogP2.66
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.30
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[bis(cyclopropylmethyl)amino]-6-fluoropyridine-3-carbaldehyde?
The IUPAC name of 2-[bis(cyclopropylmethyl)amino]-6-fluoropyridine-3-carbaldehyde (CID 58795796) is 2-[bis(cyclopropylmethyl)amino]-6-fluoropyridine-3-carbaldehyde.
What is the SMILES notation for 2-[bis(cyclopropylmethyl)amino]-6-fluoropyridine-3-carbaldehyde?
The canonical SMILES for 2-[bis(cyclopropylmethyl)amino]-6-fluoropyridine-3-carbaldehyde is O=Cc1ccc(F)nc1N(CC1CC1)CC1CC1.
What is the InChIKey of 2-[bis(cyclopropylmethyl)amino]-6-fluoropyridine-3-carbaldehyde?
The InChIKey is CGCPYORGTQSVJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN2O/c15-13-6-5-12(9-18)14(16-13)17(7-10-1-2-10)8-11-3-4-11/h5-6,9-11H,1-4,7-8H2.
What are the key properties of 2-[bis(cyclopropylmethyl)amino]-6-fluoropyridine-3-carbaldehyde?
2-[bis(cyclopropylmethyl)amino]-6-fluoropyridine-3-carbaldehyde has a molecular weight of 248.30 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[bis(cyclopropylmethyl)amino]-6-fluoropyridine-3-carbaldehyde is sourced from PubChem (CID 58795796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).