5-chloro-6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-2-amine

C14H15ClFN3 — CID 62892014

IUPAC5-chloro-6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-2-amine
SMILESCCN(Cc1nc(N)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H15ClFN3/c1-2-19(11-5-3-10(16)4-6-11)9-13-12(15)7-8-14(17)18-13/h3-8H,2,9H2,1H3,(H2,17,18)
InChIKeyQYTZYJOURBGODC-UHFFFAOYSA-N
MW279.75 g/mol
LogP3.48
Rot. Bonds4

About 5-chloro-6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-2-amine

5-chloro-6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-2-amine (PubChem CID 62892014) has the molecular formula C14H15ClFN3 and a molecular weight of 279.75 g/mol. Its IUPAC name is 5-chloro-6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-chloro-6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-2-amine
PubChem CID62892014
Molecular FormulaC14H15ClFN3
Molecular Weight279.75 g/mol
Exact Mass279.09
IUPAC Name5-chloro-6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-2-amine
SMILESCCN(Cc1nc(N)ccc1Cl)c1ccc(F)cc1
InChIInChI=1S/C14H15ClFN3/c1-2-19(11-5-3-10(16)4-6-11)9-13-12(15)7-8-14(17)18-13/h3-8H,2,9H2,1H3,(H2,17,18)
InChIKeyQYTZYJOURBGODC-UHFFFAOYSA-N
XLogP3.48
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.75
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-2-amine?
The IUPAC name of 5-chloro-6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-2-amine (CID 62892014) is 5-chloro-6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-2-amine.
What is the SMILES notation for 5-chloro-6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-2-amine?
The canonical SMILES for 5-chloro-6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-2-amine is CCN(Cc1nc(N)ccc1Cl)c1ccc(F)cc1.
What is the InChIKey of 5-chloro-6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-2-amine?
The InChIKey is QYTZYJOURBGODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClFN3/c1-2-19(11-5-3-10(16)4-6-11)9-13-12(15)7-8-14(17)18-13/h3-8H,2,9H2,1H3,(H2,17,18).
What are the key properties of 5-chloro-6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-2-amine?
5-chloro-6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-2-amine has a molecular weight of 279.75 g/mol, XLogP of 3.48, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-6-[(N-ethyl-4-fluoroanilino)methyl]pyridin-2-amine is sourced from PubChem (CID 62892014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).