(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone

C16H13BrN2O2 — CID 951305

IUPAC(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone
SMILESCc1cc(C)c2c(N)c(C(=O)c3ccc(Br)cc3)oc2n1
InChIInChI=1S/C16H13BrN2O2/c1-8-7-9(2)19-16-12(8)13(18)15(21-16)14(20)10-3-5-11(17)6-4-10/h3-7H,18H2,1-2H3
InChIKeyFLTAMFHJMKVYEL-UHFFFAOYSA-N
MW345.20 g/mol
LogP4.02
Rot. Bonds2

About (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone

(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone (PubChem CID 951305) has the molecular formula C16H13BrN2O2 and a molecular weight of 345.20 g/mol. Its IUPAC name is (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone.

Molecular Properties

Compound Name(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone
PubChem CID951305
Molecular FormulaC16H13BrN2O2
Molecular Weight345.20 g/mol
Exact Mass344.02
IUPAC Name(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone
SMILESCc1cc(C)c2c(N)c(C(=O)c3ccc(Br)cc3)oc2n1
InChIInChI=1S/C16H13BrN2O2/c1-8-7-9(2)19-16-12(8)13(18)15(21-16)14(20)10-3-5-11(17)6-4-10/h3-7H,18H2,1-2H3
InChIKeyFLTAMFHJMKVYEL-UHFFFAOYSA-N
XLogP4.02
TPSA69.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.20
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methanone, (1-amino-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
CID 705157
Methanone, (1-amino-5-ethyl-8,9-dihydro-8,8-dimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
CID 1075883
Methanone, (1-amino-8,9-dihydro-8,8-dimethyl-5-propyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
CID 1894276
Methanone, (1-amino-8,9-dihydro-5,8,8-trimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)(4-bromophenyl)-
CID 657892
(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(4-methoxyphenyl)methanone
CID 661572
(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(phenyl)methanone
CID 661617
(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(4-fluorophenyl)methanone
CID 778172
(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(p-tolyl)methanone
CID 951154
(3-Amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)(4-ethylphenyl)methanone
CID 3769265
1-(3-Amino-6-(2-chlorophenyl)-5-(4-chlorophenyl)furo[2,3-b]pyridin-2-yl)propan-1-one
CID 46884054
[3-Amino-4-(methoxymethyl)-6-methylfuro[2,3-b]pyridin-2-yl](phenyl)methanone
CID 555883
Methanone, (1-amino-5-butyl-8,9-dihydro-8,8-dimethyl-6H-furo(2,3-b)pyrano(4,3-d)pyridin-2-yl)phenyl-
CID 1908541

Frequently Asked Questions

What is the IUPAC name of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone?
The IUPAC name of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone (CID 951305) is (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone.
What is the SMILES notation for (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone?
The canonical SMILES for (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone is Cc1cc(C)c2c(N)c(C(=O)c3ccc(Br)cc3)oc2n1.
What is the InChIKey of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone?
The InChIKey is FLTAMFHJMKVYEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrN2O2/c1-8-7-9(2)19-16-12(8)13(18)15(21-16)14(20)10-3-5-11(17)6-4-10/h3-7H,18H2,1-2H3.
What are the key properties of (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone?
(3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone has a molecular weight of 345.20 g/mol, XLogP of 4.02, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-4,6-dimethylfuro[2,3-b]pyridin-2-yl)-(4-bromophenyl)methanone is sourced from PubChem (CID 951305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).