N-[2-[(3R)-4-(difluoromethoxy)oxolan-3-yl]oxyphenyl]pyridin-3-amine

C16H16F2N2O3 — CID 150663350

IUPACN-[2-[(3R)-4-(difluoromethoxy)oxolan-3-yl]oxyphenyl]pyridin-3-amine
SMILESFC(F)OC1COC[C@H]1Oc1ccccc1Nc1cccnc1
InChIInChI=1S/C16H16F2N2O3/c17-16(18)23-15-10-21-9-14(15)22-13-6-2-1-5-12(13)20-11-4-3-7-19-8-11/h1-8,14-16,20H,9-10H2/t14-,15?/m1/s1
InChIKeyJEINLJPWWWUITA-GICMACPYSA-N
MW322.31 g/mol
LogP3.21
Rot. Bonds6

About N-[2-[(3R)-4-(difluoromethoxy)oxolan-3-yl]oxyphenyl]pyridin-3-amine

N-[2-[(3R)-4-(difluoromethoxy)oxolan-3-yl]oxyphenyl]pyridin-3-amine (PubChem CID 150663350) has the molecular formula C16H16F2N2O3 and a molecular weight of 322.31 g/mol. Its IUPAC name is N-[2-[(3R)-4-(difluoromethoxy)oxolan-3-yl]oxyphenyl]pyridin-3-amine.

Molecular Properties

Compound NameN-[2-[(3R)-4-(difluoromethoxy)oxolan-3-yl]oxyphenyl]pyridin-3-amine
PubChem CID150663350
Molecular FormulaC16H16F2N2O3
Molecular Weight322.31 g/mol
Exact Mass322.11
IUPAC NameN-[2-[(3R)-4-(difluoromethoxy)oxolan-3-yl]oxyphenyl]pyridin-3-amine
SMILESFC(F)OC1COC[C@H]1Oc1ccccc1Nc1cccnc1
InChIInChI=1S/C16H16F2N2O3/c17-16(18)23-15-10-21-9-14(15)22-13-6-2-1-5-12(13)20-11-4-3-7-19-8-11/h1-8,14-16,20H,9-10H2/t14-,15?/m1/s1
InChIKeyJEINLJPWWWUITA-GICMACPYSA-N
XLogP3.21
TPSA52.61 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(3R)-4-(difluoromethoxy)oxolan-3-yl]oxyphenyl]pyridin-3-amine?
The IUPAC name of N-[2-[(3R)-4-(difluoromethoxy)oxolan-3-yl]oxyphenyl]pyridin-3-amine (CID 150663350) is N-[2-[(3R)-4-(difluoromethoxy)oxolan-3-yl]oxyphenyl]pyridin-3-amine.
What is the SMILES notation for N-[2-[(3R)-4-(difluoromethoxy)oxolan-3-yl]oxyphenyl]pyridin-3-amine?
The canonical SMILES for N-[2-[(3R)-4-(difluoromethoxy)oxolan-3-yl]oxyphenyl]pyridin-3-amine is FC(F)OC1COC[C@H]1Oc1ccccc1Nc1cccnc1.
What is the InChIKey of N-[2-[(3R)-4-(difluoromethoxy)oxolan-3-yl]oxyphenyl]pyridin-3-amine?
The InChIKey is JEINLJPWWWUITA-GICMACPYSA-N. The full InChI is InChI=1S/C16H16F2N2O3/c17-16(18)23-15-10-21-9-14(15)22-13-6-2-1-5-12(13)20-11-4-3-7-19-8-11/h1-8,14-16,20H,9-10H2/t14-,15?/m1/s1.
What are the key properties of N-[2-[(3R)-4-(difluoromethoxy)oxolan-3-yl]oxyphenyl]pyridin-3-amine?
N-[2-[(3R)-4-(difluoromethoxy)oxolan-3-yl]oxyphenyl]pyridin-3-amine has a molecular weight of 322.31 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3R)-4-(difluoromethoxy)oxolan-3-yl]oxyphenyl]pyridin-3-amine is sourced from PubChem (CID 150663350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).