5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine

C19H14ClF2N3O2 — CID 71086604

IUPAC5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1cccc(F)c1CNc1ccc(-c2nc3c(cc2Cl)OCCO3)cn1
InChIInChI=1S/C19H14ClF2N3O2/c20-13-8-16-19(27-7-6-26-16)25-18(13)11-4-5-17(23-9-11)24-10-12-14(21)2-1-3-15(12)22/h1-5,8-9H,6-7,10H2,(H,23,24)
InChIKeyKKOQEXHGRMXSKD-UHFFFAOYSA-N
MW389.79 g/mol
LogP4.46
Rot. Bonds4

About 5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine

5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine (PubChem CID 71086604) has the molecular formula C19H14ClF2N3O2 and a molecular weight of 389.79 g/mol. Its IUPAC name is 5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
PubChem CID71086604
Molecular FormulaC19H14ClF2N3O2
Molecular Weight389.79 g/mol
Exact Mass389.07
IUPAC Name5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine
SMILESFc1cccc(F)c1CNc1ccc(-c2nc3c(cc2Cl)OCCO3)cn1
InChIInChI=1S/C19H14ClF2N3O2/c20-13-8-16-19(27-7-6-26-16)25-18(13)11-4-5-17(23-9-11)24-10-12-14(21)2-1-3-15(12)22/h1-5,8-9H,6-7,10H2,(H,23,24)
InChIKeyKKOQEXHGRMXSKD-UHFFFAOYSA-N
XLogP4.46
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.79
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
The IUPAC name of 5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine (CID 71086604) is 5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine.
What is the SMILES notation for 5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
The canonical SMILES for 5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine is Fc1cccc(F)c1CNc1ccc(-c2nc3c(cc2Cl)OCCO3)cn1.
What is the InChIKey of 5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
The InChIKey is KKOQEXHGRMXSKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF2N3O2/c20-13-8-16-19(27-7-6-26-16)25-18(13)11-4-5-17(23-9-11)24-10-12-14(21)2-1-3-15(12)22/h1-5,8-9H,6-7,10H2,(H,23,24).
What are the key properties of 5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine?
5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine has a molecular weight of 389.79 g/mol, XLogP of 4.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-chloro-2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-6-yl)-N-[(2,6-difluorophenyl)methyl]pyridin-2-amine is sourced from PubChem (CID 71086604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).