(4-bromo-6,7-dichloro-1H-indol-2-yl)methylcarbamic acid

C10H7BrCl2N2O2 — CID 170427256

IUPAC(4-bromo-6,7-dichloro-1H-indol-2-yl)methylcarbamic acid
SMILESO=C(O)NCc1cc2c(Br)cc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C10H7BrCl2N2O2/c11-6-2-7(12)8(13)9-5(6)1-4(15-9)3-14-10(16)17/h1-2,14-15H,3H2,(H,16,17)
InChIKeyWYLSYNQBBQTVOV-UHFFFAOYSA-N
MW337.99 g/mol
LogP4.00
Rot. Bonds2

About (4-bromo-6,7-dichloro-1H-indol-2-yl)methylcarbamic acid

(4-bromo-6,7-dichloro-1H-indol-2-yl)methylcarbamic acid (PubChem CID 170427256) has the molecular formula C10H7BrCl2N2O2 and a molecular weight of 337.99 g/mol. Its IUPAC name is (4-bromo-6,7-dichloro-1H-indol-2-yl)methylcarbamic acid.

Molecular Properties

Compound Name(4-bromo-6,7-dichloro-1H-indol-2-yl)methylcarbamic acid
PubChem CID170427256
Molecular FormulaC10H7BrCl2N2O2
Molecular Weight337.99 g/mol
Exact Mass335.91
IUPAC Name(4-bromo-6,7-dichloro-1H-indol-2-yl)methylcarbamic acid
SMILESO=C(O)NCc1cc2c(Br)cc(Cl)c(Cl)c2[nH]1
InChIInChI=1S/C10H7BrCl2N2O2/c11-6-2-7(12)8(13)9-5(6)1-4(15-9)3-14-10(16)17/h1-2,14-15H,3H2,(H,16,17)
InChIKeyWYLSYNQBBQTVOV-UHFFFAOYSA-N
XLogP4.00
TPSA65.12 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.99
LogP ≤ 54.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

(1R)-9-bromo-6,7-dichloro-1-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 163227259
9-Bromo-6,7-dichloro-2,3,4,5-tetrahydro-1H-pyrido[4,3-B]indole
CID 169197084
9-bromo-6,7-dichloro-1-methyl-2,3,4,5-tetrahydro-1H-pyrido[4,3-b]indole
CID 169197165
4-Bromo-6,7-dichloro-1H-indole
CID 169197373
tert-butyl N-[2-(4-bromo-6,7-dichloroindol-1-yl)ethyl]carbamate
CID 170426500
9-Bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole;hydrochloride
CID 170426777
9-Bromo-6,7-dichloro-1,2,3,4-tetrahydropyrazino[1,2-a]indole
CID 170426778
2-(4-Bromo-6,7-dichloroindol-1-yl)ethylcarbamic acid
CID 170426830
1-Bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-amine
CID 170426841
1-Bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-7-amine
CID 170426876
N-(1-bromo-3,4-dichloro-6,7,8,9-tetrahydropyrido[1,2-a]indol-9-yl)acetamide
CID 170426962
tert-butyl 9-bromo-6,7-dichloro-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carboxylate
CID 170426981

Frequently Asked Questions

What is the IUPAC name of (4-bromo-6,7-dichloro-1H-indol-2-yl)methylcarbamic acid?
The IUPAC name of (4-bromo-6,7-dichloro-1H-indol-2-yl)methylcarbamic acid (CID 170427256) is (4-bromo-6,7-dichloro-1H-indol-2-yl)methylcarbamic acid.
What is the SMILES notation for (4-bromo-6,7-dichloro-1H-indol-2-yl)methylcarbamic acid?
The canonical SMILES for (4-bromo-6,7-dichloro-1H-indol-2-yl)methylcarbamic acid is O=C(O)NCc1cc2c(Br)cc(Cl)c(Cl)c2[nH]1.
What is the InChIKey of (4-bromo-6,7-dichloro-1H-indol-2-yl)methylcarbamic acid?
The InChIKey is WYLSYNQBBQTVOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrCl2N2O2/c11-6-2-7(12)8(13)9-5(6)1-4(15-9)3-14-10(16)17/h1-2,14-15H,3H2,(H,16,17).
What are the key properties of (4-bromo-6,7-dichloro-1H-indol-2-yl)methylcarbamic acid?
(4-bromo-6,7-dichloro-1H-indol-2-yl)methylcarbamic acid has a molecular weight of 337.99 g/mol, XLogP of 4.00, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromo-6,7-dichloro-1H-indol-2-yl)methylcarbamic acid is sourced from PubChem (CID 170427256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).