3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine

C9H10BrClN2O — CID 127002095

IUPAC3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine
SMILESClC1COCC1Nc1ncccc1Br
InChIInChI=1S/C9H10BrClN2O/c10-6-2-1-3-12-9(6)13-8-5-14-4-7(8)11/h1-3,7-8H,4-5H2,(H,12,13)
InChIKeyFEMYWZVQYJCDOI-UHFFFAOYSA-N
MW277.55 g/mol
LogP2.26
Rot. Bonds2

About 3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine

3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine (PubChem CID 127002095) has the molecular formula C9H10BrClN2O and a molecular weight of 277.55 g/mol. Its IUPAC name is 3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine.

Molecular Properties

Compound Name3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine
PubChem CID127002095
Molecular FormulaC9H10BrClN2O
Molecular Weight277.55 g/mol
Exact Mass275.97
IUPAC Name3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine
SMILESClC1COCC1Nc1ncccc1Br
InChIInChI=1S/C9H10BrClN2O/c10-6-2-1-3-12-9(6)13-8-5-14-4-7(8)11/h1-3,7-8H,4-5H2,(H,12,13)
InChIKeyFEMYWZVQYJCDOI-UHFFFAOYSA-N
XLogP2.26
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.55
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-[(3-chloro-2-pyridinyl)amino]oxolan-3-ol
CID 130727372
5-bromo-N-(4-chlorooxolan-3-yl)-4-methylpyrimidin-2-amine
CID 130854686
3-bromo-N-(3-ethylcyclohexyl)pyridin-2-amine
CID 64742040
trans-(1R,2R)-2-[(3-bromo-2-pyridinyl)amino]-4-(imidazol-1-ylmethyl)cyclopentan-1-ol
CID 154803148
3-bromo-N-(1,1-dioxothiolan-3-yl)pyridin-2-amine
CID 61373712
3-bromo-N-(1-oxothiolan-3-yl)pyridin-2-amine
CID 130631319
3-bromo-N-[4-(chloromethyl)oxan-4-yl]pyridin-2-amine
CID 106300053
3-bromo-N-(1,1-dioxothian-3-yl)pyridin-2-amine
CID 63922588
4-(2,6-dibromoanilino)oxolan-3-ol
CID 107598854
(3S,4R)-4-[(5-bromo-2-chloropyrimidin-4-yl)amino]oxolan-3-ol
CID 130702874
[3-[(3-bromo-2-pyridinyl)amino]oxolan-3-yl]methanol
CID 130948421
3-bromo-N-(3-chloropropyl)pyridin-2-amine
CID 65029830

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine?
The IUPAC name of 3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine (CID 127002095) is 3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine.
What is the SMILES notation for 3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine?
The canonical SMILES for 3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine is ClC1COCC1Nc1ncccc1Br.
What is the InChIKey of 3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine?
The InChIKey is FEMYWZVQYJCDOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrClN2O/c10-6-2-1-3-12-9(6)13-8-5-14-4-7(8)11/h1-3,7-8H,4-5H2,(H,12,13).
What are the key properties of 3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine?
3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine has a molecular weight of 277.55 g/mol, XLogP of 2.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-(4-chlorooxolan-3-yl)pyridin-2-amine is sourced from PubChem (CID 127002095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).