(2-chloro-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine

C7H6ClN3O — CID 84659318

IUPAC(2-chloro-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine
SMILESNCc1ccnc2oc(Cl)nc12
InChIInChI=1S/C7H6ClN3O/c8-7-11-5-4(3-9)1-2-10-6(5)12-7/h1-2H,3,9H2
InChIKeyBQJDNIJFPZOYOE-UHFFFAOYSA-N
MW183.60 g/mol
LogP1.33
Rot. Bonds1

About (2-chloro-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine

(2-chloro-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine (PubChem CID 84659318) has the molecular formula C7H6ClN3O and a molecular weight of 183.60 g/mol. Its IUPAC name is (2-chloro-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine.

Molecular Properties

Compound Name(2-chloro-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine
PubChem CID84659318
Molecular FormulaC7H6ClN3O
Molecular Weight183.60 g/mol
Exact Mass183.02
IUPAC Name(2-chloro-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine
SMILESNCc1ccnc2oc(Cl)nc12
InChIInChI=1S/C7H6ClN3O/c8-7-11-5-4(3-9)1-2-10-6(5)12-7/h1-2H,3,9H2
InChIKeyBQJDNIJFPZOYOE-UHFFFAOYSA-N
XLogP1.33
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.60
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2-ethyl-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine
CID 84655980
4-(aminomethyl)-3-chloro-N-methylpyridin-2-amine
CID 107055424
(7-propan-2-yloxy-[1,3]oxazolo[5,4-b]pyridin-2-yl)methanamine
CID 84675069
(2-chloro-1,3-benzothiazol-4-yl)methanamine
CID 154208853
quinolin-8-ylmethanamine;hydrochloride
CID 50988699
thieno[2,3-b]pyridin-4-ylmethanamine
CID 82414814
(6-chloroquinolin-8-yl)methanamine
CID 82505038
[2-(2-chloropyrimidin-4-yl)-4-fluorophenyl]methanamine
CID 89351224
4-(aminomethyl)-2-(difluoromethyl)pyridin-3-ol
CID 130097022
4-bromo-2-chloro-[1,3]oxazolo[5,4-c]pyridine
CID 84697180
[3-chloro-2-(4-chlorophenyl)sulfanyl-4-pyridinyl]methanamine
CID 107061145
(3-chloro-2-propoxy-4-pyridinyl)methanamine
CID 107056050

Frequently Asked Questions

What is the IUPAC name of (2-chloro-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine?
The IUPAC name of (2-chloro-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine (CID 84659318) is (2-chloro-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine.
What is the SMILES notation for (2-chloro-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine?
The canonical SMILES for (2-chloro-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine is NCc1ccnc2oc(Cl)nc12.
What is the InChIKey of (2-chloro-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine?
The InChIKey is BQJDNIJFPZOYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClN3O/c8-7-11-5-4(3-9)1-2-10-6(5)12-7/h1-2H,3,9H2.
What are the key properties of (2-chloro-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine?
(2-chloro-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine has a molecular weight of 183.60 g/mol, XLogP of 1.33, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-[1,3]oxazolo[5,4-b]pyridin-7-yl)methanamine is sourced from PubChem (CID 84659318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).