[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol

C20H14ClFN4O — CID 53371803

IUPAC[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol
SMILESOCc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C20H14ClFN4O/c21-13-3-4-16(22)15(8-13)19-9-18(14-2-1-6-24-20(14)26-19)25-17-5-7-23-10-12(17)11-27/h1-10,27H,11H2,(H,23,24,25,26)
InChIKeyJLOXUOXJJMFFBD-UHFFFAOYSA-N
MW380.81 g/mol
LogP4.72
Rot. Bonds4

About [4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol

[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol (PubChem CID 53371803) has the molecular formula C20H14ClFN4O and a molecular weight of 380.81 g/mol. Its IUPAC name is [4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol.

Molecular Properties

Compound Name[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol
PubChem CID53371803
Molecular FormulaC20H14ClFN4O
Molecular Weight380.81 g/mol
Exact Mass380.08
IUPAC Name[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol
SMILESOCc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12
InChIInChI=1S/C20H14ClFN4O/c21-13-3-4-16(22)15(8-13)19-9-18(14-2-1-6-24-20(14)26-19)25-17-5-7-23-10-12(17)11-27/h1-10,27H,11H2,(H,23,24,25,26)
InChIKeyJLOXUOXJJMFFBD-UHFFFAOYSA-N
XLogP4.72
TPSA70.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.81
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol?
The IUPAC name of [4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol (CID 53371803) is [4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol.
What is the SMILES notation for [4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol?
The canonical SMILES for [4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol is OCc1cnccc1Nc1cc(-c2cc(Cl)ccc2F)nc2ncccc12.
What is the InChIKey of [4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol?
The InChIKey is JLOXUOXJJMFFBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClFN4O/c21-13-3-4-16(22)15(8-13)19-9-18(14-2-1-6-24-20(14)26-19)25-17-5-7-23-10-12(17)11-27/h1-10,27H,11H2,(H,23,24,25,26).
What are the key properties of [4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol?
[4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol has a molecular weight of 380.81 g/mol, XLogP of 4.72, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]amino]-3-pyridinyl]methanol is sourced from PubChem (CID 53371803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).